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diff --git a/test/data/boiling_points.ext.sdf b/test/data/boiling_points.ext.sdf
deleted file mode 100644
index e83ba77..0000000
--- a/test/data/boiling_points.ext.sdf
+++ /dev/null
@@ -1,11460 +0,0 @@
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.4782 1.4782 1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3904 1.4782 1.4782 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0268 3.1273 1.4782 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0268 0.6534 0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0277 0.6528 2.9061 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-378
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.1275 1.1275 1.1275 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9513 1.1275 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4559 2.3710 1.1275 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4559 0.5051 2.2040 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4551 0.5060 0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
-M END
-> <Boiling Point>
-191.7
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.4761 1.4761 1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2227 1.4761 1.4761 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8939 3.1226 1.4761 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8942 0.6529 0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8939 0.6526 2.9018 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-349.8
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.1423 1.1423 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4791 1.1423 1.1423 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6964 2.4025 1.1423 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6970 0.5135 0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6968 0.5112 2.2332 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-145.1
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.7815 0.7815 0.7815 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6535 0.7815 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9274 2.6334 0.7815 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9282 0.4651 2.6061 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1840 0.1642 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
-M END
-> <Boiling Point>
-422.3
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.1977 1.1977 1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0199 1.1977 1.1977 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7337 2.4613 1.1977 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7339 0.6689 0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8210 0.6357 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-232.3
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.1428 1.1428 1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9308 1.1428 1.1428 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6360 2.8567 1.1428 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6712 0.5103 0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7553 0.6233 2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-282
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.5189 1.5189 1.5189 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2721 1.5189 1.5189 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9635 3.1814 1.5189 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9615 0.7444 0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1321 0.9815 2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-334.3
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.2538 1.2538 1.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6000 1.2538 1.2538 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8899 2.5498 1.2538 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8899 0.7740 0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8198 0.6805 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-191
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9542 0.9542 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8656 0.9542 0.9542 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8062 2.8600 0.9542 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5351 0.5016 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5348 0.5014 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-370.1
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9443 0.9443 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7022 0.9443 0.9443 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4033 2.6165 0.9443 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5650 0.4228 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5648 0.4225 1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-312.9
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9607 0.9607 0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3100 0.9607 0.9607 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6238 2.2670 0.9607 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5856 0.4744 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5854 0.4742 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-221.5
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9524 0.9524 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9467 0.9524 0.9524 I 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7986 2.9407 0.9524 I 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5253 0.4910 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5250 0.4907 1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-455.2
-
-$$$$
-
- CDK 0203121541
-
- 4 3 0 0 0 0 0 0 0 0999 V2000
- 0.9777 0.9777 0.9777 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1799 0.9777 0.9777 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7548 1.9052 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7546 0.0500 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
-M END
-> <Boiling Point>
-254
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.4825 1.4825 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6894 1.4825 1.4825 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9981 2.7436 1.4825 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8185 0.6054 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.7377 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 3 5 1 0 0 0 0
-M END
-> <Boiling Point>
-373.7
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9467 0.9467 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8976 0.9467 0.9467 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6014 1.9810 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6021 0.4308 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6009 0.4285 1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-276.7
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9417 0.9417 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7064 0.9417 0.9417 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5686 1.9702 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5696 0.4283 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5685 0.4266 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-248.9
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9465 0.9465 0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2974 0.9465 0.9465 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5983 1.9813 0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5988 0.4294 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5977 0.4286 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-194.8
-
-$$$$
-
- CDK 0203121541
-
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.9446 0.9446 0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9720 0.9446 0.9446 I 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5875 1.9778 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5868 0.4284 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5887 0.4291 1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
-M END
-> <Boiling Point>
-315.6
-
-$$$$
-
- CDK 0203121541
-
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 0.9552 0.9552 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3502 0.9552 0.9552 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6811 2.0137 0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5416 0.4724 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5410 0.4718 1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6341 0.0500 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 6 1 0 0 0 0
-M END
-> <Boiling Point>
-337.8
-
-$$$$
-
- CDK 0203121541
-
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 1.3369 1.3369 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1374 1.3369 1.3369 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0104 2.3844 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9039 0.8554 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9035 0.8551 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3622 0.0500 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 6 1 0 0 0 0
-M END
-> <Boiling Point>
-279.1
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.5490 1.5490 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1271 1.5490 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9987 3.2379 1.5490 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9938 0.7761 0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1072 0.8871 2.6397 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6410 0.3057 1.5694 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6430 2.1548 0.4640 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6369 2.1850 2.6194 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-276.2
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.2985 1.2985 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9060 1.2985 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3961 2.5469 1.2985 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3956 0.6736 2.3795 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3956 0.6745 0.2171 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8089 0.0500 1.3030 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8083 1.9265 2.3774 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8087 1.9185 0.2148 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
-M END
-> <Boiling Point>
-194.9
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.2873 1.2873 1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8424 1.2873 1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3887 2.9512 1.2873 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3905 0.5046 2.7550 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7514 0.0500 1.2470 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7631 1.8706 2.3843 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7531 1.9478 0.2392 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2295 0.7514 0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-301
-
-$$$$
-
- CDK 0203121541
-
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 1.4829 1.4829 1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8214 1.4829 1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7063 2.9079 1.4829 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7237 0.0734 1.4830 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6221 0.0500 1.4829 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9041 2.4137 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
-M END
-> <Boiling Point>
-360.1
-
-$$$$
-
- CDK 0203121541
-
- 7 6 0 0 0 0 0 0 0 0999 V2000
- 1.6990 1.6990 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2196 1.6990 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8553 2.7202 1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0949 0.0500 1.7018 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0855 2.5138 3.1242 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0825 2.5097 0.2740 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6994 0.7067 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 7 1 0 0 0 0
-M END
-> <Boiling Point>
-370.8
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.7089 1.7089 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2187 1.7089 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8249 3.3576 1.7089 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8423 0.8817 3.1202 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8217 0.8983 0.2710 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1204 0.0500 1.7435 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1206 2.5194 3.1574 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3153 2.2266 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
-M END
-> <Boiling Point>
-433
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.3227 1.3227 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9205 1.3227 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4331 2.5656 1.3227 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4249 0.7020 2.4027 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4311 0.6935 0.2497 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8827 0.0500 1.3695 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8814 1.8853 2.4648 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9104 1.8502 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
-M END
-> <Boiling Point>
-225.1
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.8391 1.8391 1.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3024 1.8391 1.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2120 3.6435 1.8391 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1997 1.4455 0.0892 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9281 0.1095 2.3559 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9421 1.7145 0.0500 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3642 1.2239 2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7773 2.6534 2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-516.7
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.7205 1.7205 1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2265 1.7205 1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1145 3.3735 1.7205 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0965 0.9060 0.2967 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0958 0.9059 3.1438 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8045 0.0500 1.7250 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6192 2.2410 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6200 2.2475 2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-403.7
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.7031 1.7031 1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2111 1.7031 1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1141 3.3674 1.7031 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0913 0.9228 0.2485 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7998 0.0500 1.8985 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8227 2.3064 0.1666 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3084 1.1738 2.5999 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6067 2.3349 2.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-418.3
-
-$$$$
-
- CDK 0203121541
-
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 1.1190 1.1190 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4557 1.1190 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2515 2.1876 1.1190 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2510 0.0500 1.1194 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5441 0.1991 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5437 2.0387 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
-M END
-> <Boiling Point>
-187.5
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.3024 1.3024 1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8855 1.3024 1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3535 2.5697 1.3024 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3540 0.7766 2.4538 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8348 0.0500 1.4964 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8340 1.9978 2.3601 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8906 1.7226 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2971 0.7432 0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-250.1
-
-$$$$
-
- CDK 0203121541
-
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 0.9636 0.9636 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2789 0.9636 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1157 2.6644 0.9636 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3754 0.0500 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3774 1.8789 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9708 0.1228 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
-M END
-> <Boiling Point>
-288.9
-
-$$$$
-
- CDK 0203121541
-
- 7 6 0 0 0 0 0 0 0 0999 V2000
- 1.6868 1.6868 1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1805 1.6868 1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9110 2.6419 1.6868 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8735 0.0500 1.6872 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2782 0.6677 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2970 2.2070 2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2966 2.2054 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
-M END
-> <Boiling Point>
-323.9
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.4735 1.4735 1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9748 1.4735 1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6025 3.1168 1.4735 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6024 0.6515 2.8971 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6024 0.6514 0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0790 0.4489 1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0782 1.9908 2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0788 1.9806 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
-M END
-> <Boiling Point>
-347.2
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.7144 1.7144 1.7144 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2199 1.7144 1.7144 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7941 3.3906 1.7144 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1298 0.0500 1.5891 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1106 2.3650 3.2391 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3014 2.3128 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6257 1.1938 2.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6152 1.1980 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-387
-
-$$$$
-
- CDK 0203121541
-
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 0.9776 0.9776 0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3103 0.9776 0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0205 2.1118 0.9776 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4157 0.0500 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3734 1.8797 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9557 0.0957 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
-M END
-> <Boiling Point>
-200.9
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.1210 1.1210 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6646 1.1210 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2146 2.3565 1.1210 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2164 0.5021 2.1892 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2133 0.5038 0.0500 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7368 0.0944 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7367 1.6371 2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7370 1.6311 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
-M END
-> <Boiling Point>
-225.8
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.0607 1.0607 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5355 1.0607 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1603 2.8679 1.0607 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1616 0.6881 2.8289 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6613 0.0500 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6688 1.7057 1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6637 1.4314 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0390 0.4424 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-381.1
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.9472 1.9472 1.9472 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4280 1.9472 1.9472 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8987 3.8438 1.9472 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4777 0.0500 1.9382 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5050 2.4076 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5062 2.4156 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8697 1.4824 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8689 1.4827 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-404.5
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.5271 1.5271 1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0284 1.5271 1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9248 3.1918 1.5271 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9233 0.7628 0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1055 0.9938 2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4234 0.5036 1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4323 2.0086 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4225 2.0666 2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-330.4
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.7329 1.7329 1.7329 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2377 1.7329 1.7329 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8055 3.4161 1.7329 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1650 0.0500 1.7472 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3237 2.2530 2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3245 2.2381 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6465 1.2201 2.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6464 1.2199 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-356.6
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.0775 1.0775 1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6119 1.0775 1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1281 2.3331 1.0775 F 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1275 0.5393 2.2122 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6972 0.0500 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6683 1.6158 1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6975 1.5586 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0359 0.5282 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-247.4
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.3196 1.3196 1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8650 1.3196 1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3437 2.5891 1.3196 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8412 0.0500 1.3278 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9153 1.8278 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9151 1.8160 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2694 0.8171 2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2692 0.8172 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-283.6
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.2730 1.2730 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7702 1.2730 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5356 2.2208 1.2730 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3515 0.0500 1.2731 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8493 0.2601 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8946 1.7993 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8944 1.7974 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2995 0.1399 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 8 1 0 0 0 0
-M END
-> <Boiling Point>
-391.1
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.1125 1.1125 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5213 1.1125 1.1125 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1334 2.3326 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3316 2.1964 1.1126 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8576 0.0500 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7055 1.5959 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7053 1.5959 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5593 3.2705 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 8 1 0 0 0 0
-M END
-> <Boiling Point>
-304.9
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.0732 1.0732 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5624 1.0732 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0499 2.9708 1.0732 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6741 0.0500 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6728 1.5892 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6740 1.5835 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0131 0.6188 1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0130 0.6191 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-311.5
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.0754 1.0754 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5779 1.0754 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1605 2.7588 1.0754 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6831 0.0500 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6705 1.5856 1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6708 1.5830 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9917 0.5683 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9914 0.5685 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-285.4
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.0785 1.0785 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5989 1.0785 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1079 2.3398 1.0785 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6992 0.0500 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6731 1.5866 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6725 1.5869 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0063 0.5765 1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0061 0.5768 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-235.4
-
-$$$$
-
- CDK 0203121541
-
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 1.0751 1.0751 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5667 1.0751 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1402 3.0295 1.0751 I 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6788 0.0500 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6757 1.5904 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6767 1.5861 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0057 0.6016 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0054 0.6017 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
-M END
-> <Boiling Point>
-345.4
-
-$$$$
-
- CDK 0203121541
-
- 9 8 0 0 0 0 0 0 0 0999 V2000
- 1.1123 1.1123 1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5179 1.1123 1.1123 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0922 2.3952 1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8578 0.0500 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7017 1.5980 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7039 1.5980 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1657 2.1931 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8208 2.9626 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8095 2.9711 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 7 1 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
-M END
-> <Boiling Point>
-248.3
-
-$$$$
-
- CDK 0203121541
-
- 9 8 0 0 0 0 0 0 0 0999 V2000
- 1.0779 1.0779 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5959 1.0779 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0252 2.4206 1.0779 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6944 0.0500 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6693 1.5860 1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6689 1.5853 0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9911 0.5516 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9912 0.5524 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9722 2.4016 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
-M END
-> <Boiling Point>
-351.4
-
-$$$$
-
- CDK 0203121541
-
- 10 9 0 0 0 0 0 0 0 0999 V2000
- 0.9596 0.9596 0.9596 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3693 0.9596 0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8111 2.4313 0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2200 2.4310 1.0043 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6925 0.0510 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7568 0.4240 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7498 0.4330 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4546 2.9529 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3961 2.9717 1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4860 3.3401 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 4 10 1 0 0 0 0
-M END
-> <Boiling Point>
-470.5
-
-$$$$
-
- CDK 0203121541
-
- 9 8 0 0 0 0 0 0 0 0999 V2000
- 1.0957 1.0957 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8964 1.0957 1.0957 S 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2862 2.8540 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7644 0.0500 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6687 1.5802 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6671 1.5847 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3779 2.9552 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9047 3.3752 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8936 3.3768 1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 7 1 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
-M END
-> <Boiling Point>
-310.5
-
-$$$$
-
- CDK 0203121541
-
- 9 8 0 0 0 0 0 0 0 0999 V2000
- 1.0778 1.0778 1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5858 1.0778 1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1838 2.8027 1.0778 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6898 0.0500 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6688 1.5846 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6691 1.5819 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9706 0.5349 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9697 0.5360 0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4710 2.5778 1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
-M END
-> <Boiling Point>
-308.2
-
-$$$$
-
- CDK 0203121541
-
- 10 9 0 0 0 0 0 0 0 0999 V2000
- 2.4092 2.4092 2.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2127 2.4092 2.4092 S 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8806 4.3174 2.4092 S 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9875 4.9034 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1083 1.3527 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9699 2.9018 3.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9698 2.8644 1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4946 5.8769 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5733 4.2510 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0101 5.0568 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 8 1 0 0 0 0
- 4 9 1 0 0 0 0
- 4 10 1 0 0 0 0
-M END
-> <Boiling Point>
-382.9
-
-$$$$
-
- CDK 0203121541
-
- 10 9 0 0 0 0 0 0 0 0999 V2000
- 1.3410 1.3410 1.3410 S 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1681 1.3410 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6393 2.7760 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4653 2.7747 1.4057 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1328 0.0500 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5597 0.8029 2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5581 0.8041 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2811 3.3037 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2182 3.3243 2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6753 4.0652 1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 4 10 1 0 0 0 0
-M END
-> <Boiling Point>
-419.2
-
-$$$$
-
- CDK 0203121541
-
- 9 8 0 0 0 0 0 0 0 0999 V2000
- 1.5819 1.5819 1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0634 1.5819 1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8172 2.6782 1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7933 0.0500 1.5819 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1721 0.5632 1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1897 2.0999 2.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1894 2.0982 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9026 2.6467 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3892 3.6760 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
-M END
-> <Boiling Point>
-295.8
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.7193 1.7193 1.7193 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2309 1.7193 1.7193 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7898 3.1240 1.7193 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1444 0.0500 1.5689 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7901 0.8955 3.1992 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5555 3.0391 1.5990 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3121 2.1551 2.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3196 2.3103 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6208 1.1426 0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4028 3.7078 0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5201 3.6694 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 6 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
-M END
-> <Boiling Point>
-430
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.7182 1.7182 1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2293 1.7182 1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7958 3.1173 1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1369 0.0500 1.5632 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7837 0.8924 3.2052 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3103 2.1531 2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3215 2.3109 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6168 1.1325 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8920 3.0977 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5156 3.6594 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4355 3.7006 2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
-M END
-> <Boiling Point>
-369.5
-
-$$$$
-
- CDK 0203121541
-
- 10 9 0 0 0 0 0 0 0 0999 V2000
- 1.0787 1.0787 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5836 1.0787 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2310 2.4375 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2329 0.0500 1.0782 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6516 0.0676 1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6971 1.6056 1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6980 1.6004 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3274 2.3878 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9343 3.0000 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9095 3.0143 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 2 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
-M END
-> <Boiling Point>
-329.4
-
-$$$$
-
- CDK 0203121541
-
- 10 9 0 0 0 0 0 0 0 0999 V2000
- 1.0736 1.0736 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5844 1.0736 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1430 2.4761 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3303 2.7084 1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6779 0.0500 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6680 1.5835 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6673 1.5819 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9691 0.5210 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9682 0.5237 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4192 3.3081 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
-M END
-> <Boiling Point>
-321.1
-
-$$$$
-
- CDK 0203121541
-
- 10 10 0 0 0 0 0 0 0 0999 V2000
- 1.2355 1.2355 1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7359 1.2355 1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5027 2.5116 1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3939 1.7193 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8110 2.1314 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8426 0.3633 0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8615 1.1914 2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1845 0.3217 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4998 2.5843 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9951 3.4840 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
-M END
-> <Boiling Point>
-307.6
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.0799 1.0799 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5957 1.0799 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0186 2.4422 1.0799 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3625 2.6559 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5945 3.8402 1.0722 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7014 0.0500 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6694 1.5852 1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6697 1.5859 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0007 0.5664 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0002 0.5663 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0865 1.8283 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 11 1 0 0 0 0
-M END
-> <Boiling Point>
-327.5
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 2.5265 2.5265 2.5265 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0276 2.5265 2.5265 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7700 3.4890 2.5265 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5686 1.2700 2.5265 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9734 1.1345 2.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0980 1.5156 2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1491 3.0532 3.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1489 3.0514 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1070 0.0500 2.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4195 1.5665 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4280 1.5866 3.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 9 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 11 1 0 0 0 0
-M END
-> <Boiling Point>
-330.1
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.0783 1.0783 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5896 1.0783 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2248 2.4443 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4154 2.7102 1.0657 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4026 3.5182 1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6939 0.0500 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6677 1.5820 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5831 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9726 0.5289 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9723 0.5289 0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9243 4.3154 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 5 1 0 0 0 0
- 5 11 1 0 0 0 0
-M END
-> <Boiling Point>
-414.3
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.9464 1.9464 1.9464 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4453 1.9464 1.9464 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9962 3.3551 1.9464 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4656 0.0500 1.9323 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4991 2.3976 2.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4985 2.4103 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8144 1.3861 2.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8144 1.3868 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0934 3.3496 1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6731 3.9161 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6669 3.9188 2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
-M END
-> <Boiling Point>
-344.1
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.0723 1.0723 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5811 1.0723 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1630 2.4644 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1325 0.2421 2.5647 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6737 0.0500 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6679 1.5763 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6799 1.5923 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9736 0.4825 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2587 2.4377 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8889 3.0044 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8024 3.0539 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
-M END
-> <Boiling Point>
-308.8
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.0736 1.0736 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5854 1.0736 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1309 2.4833 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9092 2.4099 1.1283 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6781 0.0500 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5821 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6682 1.5822 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9693 0.5223 1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9663 0.5248 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8362 3.0401 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7803 3.0613 1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
-M END
-> <Boiling Point>
-319.7
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.0699 1.0699 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5682 1.0699 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1874 2.4343 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1159 0.2199 2.8463 I 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6757 0.0500 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6688 1.6553 1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6753 1.5006 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9889 0.4172 0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2789 2.3728 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9574 2.9716 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8177 3.0417 1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
-M END
-> <Boiling Point>
-362.6
-
-$$$$
-
- CDK 0203121541
-
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.0746 1.0746 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5885 1.0746 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1318 2.4742 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1594 2.3029 1.0910 I 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6818 0.0500 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6684 1.5825 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6686 1.5824 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9741 0.5261 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9740 0.5280 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8517 3.0494 0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8365 3.0561 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
-M END
-> <Boiling Point>
-375.6
-
-$$$$
-
- CDK 0203121541
-
- 12 11 0 0 0 0 0 0 0 0999 V2000
- 1.0705 1.0705 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5957 1.0705 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1382 2.4985 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0017 0.3483 2.2201 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6665 0.0500 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6623 1.5968 1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6863 1.5686 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9707 0.5298 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2361 2.5181 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7837 3.0467 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8143 3.0584 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9447 0.4275 2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
-M END
-> <Boiling Point>
-355.4
-
-$$$$
-
- CDK 0203121541
-
- 12 11 0 0 0 0 0 0 0 0999 V2000
- 1.0791 1.0791 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5956 1.0791 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0176 2.4385 1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4111 2.5950 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6985 0.0500 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6692 1.5851 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6689 1.5852 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9986 0.5601 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9981 0.5599 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5419 3.6799 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8794 2.1556 1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8715 2.1664 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 10 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
-M END
-> <Boiling Point>
-280.5
-
-$$$$
-
- CDK 0203121541
-
- 12 11 0 0 0 0 0 0 0 0999 V2000
- 1.0732 1.0732 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5849 1.0732 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1244 2.5020 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5315 2.4297 1.1045 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6765 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6668 1.5812 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6666 1.5824 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9682 0.5196 1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9644 0.5238 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7900 3.0473 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7485 3.0631 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8466 3.3230 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
-M END
-> <Boiling Point>
-370.4
-
-$$$$
-
- CDK 0203121541
-
- 13 12 0 0 0 0 0 0 0 0999 V2000
- 1.7976 1.7976 1.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3224 1.7976 1.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7326 3.1520 1.7976 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8464 1.0432 3.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2380 0.8834 2.8876 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4092 0.7716 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3866 2.2805 2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3981 2.3332 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6979 1.3036 0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6803 3.1466 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6123 1.5991 3.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3625 0.0500 3.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5634 0.5413 3.7088 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
-M END
-> <Boiling Point>
-460.8
-
-$$$$
-
- CDK 0203121541
-
- 13 12 0 0 0 0 0 0 0 0999 V2000
- 1.4215 1.4215 1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9483 1.4215 1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4657 2.8581 1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9971 0.0783 1.4077 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8720 2.7991 1.4852 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0268 1.9395 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0278 1.9575 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3344 0.8696 2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3336 0.8735 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1456 3.3930 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0665 3.4235 2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 0.0951 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1809 3.6945 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
-M END
-> <Boiling Point>
-487.6
-
-$$$$
-
- CDK 0203121541
-
- 12 11 0 0 0 0 0 0 0 0999 V2000
- 1.0715 1.0715 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5869 1.0715 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1320 2.4849 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1249 0.0924 2.5367 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6679 0.0500 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6637 1.5872 1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6822 1.5842 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9521 0.5453 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2300 2.4976 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7876 3.0359 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8041 3.0506 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4139 0.3041 2.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
-M END
-> <Boiling Point>
-325.7
-
-$$$$
-
- CDK 0203121541
-
- 12 11 0 0 0 0 0 0 0 0999 V2000
- 1.0744 1.0744 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5878 1.0744 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1319 2.4903 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9556 2.4192 1.1304 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6802 0.0500 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5829 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6679 1.5829 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9680 0.5218 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9635 0.5231 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7911 3.0329 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7394 3.0535 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2135 3.7007 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
-M END
-> <Boiling Point>
-340.9
-
-$$$$
-
- CDK 0203121541
-
- 9 9 0 0 0 0 0 0 0 0999 V2000
- 0.9074 0.9074 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2799 0.9074 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6851 2.2904 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5299 3.0317 0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4308 2.2004 0.9073 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1498 0.1302 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9460 0.0500 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7085 2.6531 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3100 4.0945 0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 9 1 0 0 0 0
-M END
-> <Boiling Point>
-304.5
-
-$$$$
-
- CDK 0203121541
-
- 9 9 0 0 0 0 0 0 0 0999 V2000
- 0.9427 0.9427 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3084 0.9427 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8511 2.2725 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8755 3.2283 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2936 2.5409 0.9454 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3078 0.0586 0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9339 0.0500 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9227 2.4717 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0410 4.3041 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 9 1 0 0 0 0
-M END
-> <Boiling Point>
-357.3
-
-$$$$
-
- CDK 0203121541
-
- 11 11 0 0 0 0 0 0 0 0999 V2000
- 0.9687 0.9687 0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4709 0.9687 0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9110 2.2332 0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7353 3.1672 0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5616 2.3437 0.9779 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5356 0.4856 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5375 0.4972 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0534 0.0500 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9385 2.5905 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6902 3.8078 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6965 3.8113 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 10 1 0 0 0 0
- 4 11 1 0 0 0 0
-M END
-> <Boiling Point>
-339
-
-$$$$
-
- CDK 0203121541
-
- 12 11 0 0 0 0 0 0 0 0999 V2000
- 3.2223 3.2223 3.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7112 3.2223 3.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3954 4.3712 3.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4526 1.9377 3.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6613 1.7638 3.2057 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7246 0.7956 3.2439 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7807 2.2181 3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8372 3.7457 4.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8374 3.7473 2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4818 4.4194 3.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8973 5.3372 3.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3173 0.0500 3.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 12 1 0 0 0 0
-M END
-> <Boiling Point>
-434.2
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.7187 1.7187 1.7187 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2303 1.7187 1.7187 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7983 3.1268 1.7187 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3045 3.1206 1.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1381 0.0500 1.5688 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7744 0.8838 3.2058 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3111 2.1559 2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3196 2.3093 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6160 1.1336 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3516 3.7018 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4942 3.6530 2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7088 4.1398 1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7719 2.5441 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6309 2.6766 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-397.1
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.5360 1.5360 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0450 1.5360 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6338 2.9372 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1427 2.9337 1.5137 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5866 0.7129 3.0355 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0723 3.7712 0.0500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1429 0.5123 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1300 2.0816 2.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1438 2.0108 0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4415 0.9496 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2503 3.5182 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5403 3.9563 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5460 2.4104 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5337 2.4307 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 6 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-392.6
-
-$$$$
-
- CDK 0203121541
-
- 13 12 0 0 0 0 0 0 0 0999 V2000
- 0.9555 0.9555 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4639 0.9555 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0088 2.3741 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5209 2.3803 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2959 0.1630 1.5877 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4570 1.7184 0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8718 0.3872 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8059 0.4106 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6197 2.9298 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6366 2.9194 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9143 3.4049 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9366 1.8670 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9197 1.8773 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 2 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
-M END
-> <Boiling Point>
-348
-
-$$$$
-
- CDK 0203121541
-
- 13 12 0 0 0 0 0 0 0 0999 V2000
- 2.0555 2.0555 2.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5681 2.0555 2.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1100 3.4723 2.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4815 4.0165 3.0777 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1657 4.1578 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6633 1.0311 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6499 2.5917 2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6478 2.5323 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9447 1.4974 2.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9542 1.5168 1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4915 5.2037 0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8621 3.6337 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1762 4.1449 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 5 1 0 0 0 0
- 5 11 1 0 0 0 0
- 5 12 1 0 0 0 0
- 5 13 1 0 0 0 0
-M END
-> <Boiling Point>
-352.8
-
-$$$$
-
- CDK 0203121541
-
- 13 12 0 0 0 0 0 0 0 0999 V2000
- 1.9082 1.9082 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4280 1.9082 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9619 3.3278 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9238 1.0669 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7317 1.4352 3.8884 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5029 0.8887 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5041 2.3827 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5141 2.4613 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7873 1.3936 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0594 3.3436 1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6197 3.8765 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6273 3.8867 2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5004 0.0500 3.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 13 1 0 0 0 0
-M END
-> <Boiling Point>
-337.3
-
-$$$$
-
- CDK 0203121541
-
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 1.4141 1.4141 1.4141 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8355 1.4141 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3286 2.8624 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0838 3.7076 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9311 2.7048 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1729 0.8490 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1246 0.8443 2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1028 3.0265 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8044 3.1260 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1740 4.3004 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9171 4.4432 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5037 2.6389 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1082 2.9078 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 10 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 12 1 0 0 0 0
- 5 13 1 0 0 0 0
-M END
-> <Boiling Point>
-339.1
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.0739 1.0739 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5866 1.0739 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1277 2.4944 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6291 2.5976 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3009 3.6089 1.2262 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3433 1.4549 0.9842 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6792 0.0500 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6662 1.5817 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6669 1.5818 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9659 0.5212 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9644 0.5221 0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7711 3.0377 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7266 3.0561 1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2732 1.6589 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 14 1 0 0 0 0
-M END
-> <Boiling Point>
-436.4
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.0801 1.0801 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5964 1.0801 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0122 2.4419 1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3481 2.7200 1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4920 3.9248 1.0684 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4240 1.6748 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7023 0.0500 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6694 1.5855 1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6695 1.5857 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0000 0.5657 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9991 0.5645 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4198 2.1370 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3581 1.0170 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3463 1.0491 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 12 1 0 0 0 0
- 6 13 1 0 0 0 0
- 6 14 1 0 0 0 0
-M END
-> <Boiling Point>
-350.2
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 2.3978 2.3978 2.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9182 2.3978 2.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4643 3.8162 2.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4216 1.6489 3.6185 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3669 1.9523 4.7962 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0172 0.4614 3.3520 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9950 1.3770 2.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9899 2.9151 3.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0108 2.9080 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2769 1.8753 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5613 3.8249 2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1089 4.3674 1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1476 4.3764 3.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2998 0.0500 4.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 14 1 0 0 0 0
-M END
-> <Boiling Point>
-427.7
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.1144 1.1144 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5197 1.1144 1.1144 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1942 2.3078 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3823 2.0673 1.1121 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4995 3.6473 1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4644 4.8096 1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8660 0.0500 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7014 1.5970 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7036 1.5915 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8480 3.7095 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8204 3.6925 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9233 5.7643 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0951 4.7947 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1365 4.8008 0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 11 1 0 0 0 0
- 6 12 1 0 0 0 0
- 6 13 1 0 0 0 0
- 6 14 1 0 0 0 0
-M END
-> <Boiling Point>
-352.6
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.0740 1.0740 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5859 1.0740 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1197 2.5028 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5430 2.4172 1.1143 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2174 3.5993 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4066 3.3977 1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6792 0.0500 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6664 1.5811 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6671 1.5819 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9681 0.5213 1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9663 0.5241 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8067 3.0492 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7568 3.0687 1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6995 4.5687 1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 14 1 0 0 0 0
-M END
-> <Boiling Point>
-354
-
-$$$$
-
- CDK 0203121541
-
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 1.8327 1.8327 1.8327 S 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6565 1.8327 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1248 3.2806 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0697 4.1454 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6880 3.6219 1.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0267 1.2886 0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0320 1.2802 2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1031 3.3797 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2900 3.6307 2.8707 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2138 4.1248 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1806 5.2059 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9585 3.7984 0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2843 4.1290 2.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 10 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 12 1 0 0 0 0
- 5 13 1 0 0 0 0
-M END
-> <Boiling Point>
-394.3
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.9471 1.9471 1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4453 1.9471 1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9976 3.3647 1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5096 3.3626 1.9562 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4697 0.0500 1.9336 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4987 2.3963 2.8464 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4978 2.4103 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8190 1.3853 2.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8146 1.3926 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6275 3.9130 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6149 3.9195 2.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9085 4.3850 1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9091 2.8496 2.8413 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9192 2.8548 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-374.8
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.1468 1.1468 1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6426 1.1468 1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2734 2.5122 1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7773 2.4407 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1072 0.3787 2.8937 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7564 0.1274 1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7467 1.7484 1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7457 1.5574 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0768 0.4710 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8406 3.1133 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9993 3.0448 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2271 3.4398 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2177 1.8302 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0778 1.9960 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-364.4
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.0733 1.0733 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5852 1.0733 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1394 2.4888 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6509 2.4805 1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2347 4.1613 1.0813 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6765 0.0500 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6670 1.5832 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6685 1.5825 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9657 0.5157 1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9602 0.5238 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7751 3.0434 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7593 3.0477 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0537 1.9740 1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0671 1.9650 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-351.6
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.1119 1.1119 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6213 1.1119 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2007 2.5147 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7077 2.5027 0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1625 0.2752 2.6068 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7148 0.0889 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7077 1.6229 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7169 1.6232 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0181 0.5236 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7589 3.0887 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8930 3.0450 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1151 3.5210 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1670 1.9297 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0387 2.0510 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-341.3
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.9171 1.9171 1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4319 1.9171 1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9950 3.3232 1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9954 1.0854 3.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9610 1.1368 0.3774 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5179 0.8947 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5232 2.4090 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5190 2.4485 1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0918 3.3147 1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6298 3.8986 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7031 3.8630 2.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0924 1.0565 3.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7016 1.4987 4.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6339 0.0500 3.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-323.8
-
-$$$$
-
- CDK 0203121541
-
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.8290 1.8290 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3493 1.8290 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8796 3.2526 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8654 1.0591 3.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6314 0.8758 2.9108 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4260 0.8084 1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4238 2.3104 2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4351 2.3730 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7071 1.3137 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9779 3.2645 1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5597 3.7948 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5225 3.8184 2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6310 1.5749 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4191 0.0500 3.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
-M END
-> <Boiling Point>
-342
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.0724 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5844 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1382 2.4878 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6650 2.4675 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1109 3.8043 1.0863 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6740 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6672 1.5829 1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6680 1.5824 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9636 0.5158 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9581 0.5219 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7728 3.0397 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7558 3.0475 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0439 1.9355 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0586 1.9314 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0575 3.7716 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-390.8
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.0909 1.0909 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6155 1.0909 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1580 2.5307 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6686 2.5534 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0306 0.3604 2.2322 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6888 0.0698 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6821 1.6227 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7046 1.5806 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9953 0.5518 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7238 3.0810 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8123 3.0664 1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0647 3.5662 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1097 1.9124 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0358 2.1856 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9479 0.5793 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-372.7
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.0787 1.0787 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5958 1.0787 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0123 2.4361 1.0787 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4236 2.5891 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7139 4.0778 1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6978 0.0500 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6695 1.5846 1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6690 1.5852 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9978 0.5584 1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9977 0.5590 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8547 2.1062 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8628 2.0855 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7963 4.2545 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3094 4.5628 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2794 4.5893 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-307.6
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.8434 1.8434 1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3793 1.8434 1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8870 3.2765 1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9267 1.0895 3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4010 0.5574 1.4734 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4507 2.1217 2.8419 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4549 2.5878 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7410 1.3386 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9843 3.3078 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5530 3.8239 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5341 3.8316 2.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0244 1.0665 3.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6192 1.5552 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5744 0.0500 3.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4632 0.5500 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-380.8
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.8380 1.8380 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3692 1.8380 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8968 3.2790 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8980 1.0925 3.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7535 1.1654 0.6431 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4350 0.8171 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4511 2.3224 2.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4354 2.3790 0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9947 3.3106 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5588 3.8303 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5429 3.8236 2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9960 1.0797 3.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5503 1.5715 3.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5541 0.0500 3.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7012 1.1558 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-355.6
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.0737 1.0737 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5855 1.0737 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1211 2.5024 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5406 2.4169 1.1208 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1776 3.6661 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6776 0.0500 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6662 1.5820 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5823 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9665 0.5205 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9659 0.5235 0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8051 3.0492 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7478 3.0711 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2385 3.4063 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9669 4.2378 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9055 4.2702 1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-312.2
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 1.4057 1.4057 1.4057 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8163 1.4057 1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2748 2.8623 1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7926 2.9757 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1866 4.4314 0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4038 2.4634 2.3845 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1386 0.5170 1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2085 0.8651 2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1820 0.8753 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7701 3.4201 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9688 3.3609 2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1130 2.3469 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2714 4.5424 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7068 4.8136 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8869 5.0836 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3336 2.6252 2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
-M END
-> <Boiling Point>
-480.2
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 0.9588 0.9588 0.9588 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3684 0.9588 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8261 2.4159 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3423 2.4959 1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8017 3.9521 0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2063 3.9546 1.1115 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6893 0.0512 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7552 0.4232 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7475 0.4273 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4523 2.9330 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3799 2.9580 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7172 1.9908 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7875 1.9415 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4958 4.4455 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3469 4.5241 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4773 4.8616 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
-M END
-> <Boiling Point>
-501.2
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 1.8549 1.8549 1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3800 1.8549 1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7944 3.2065 1.8549 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9308 1.0518 3.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3120 0.8576 2.8141 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6889 1.7475 4.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4668 0.8295 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4429 2.3215 2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4561 2.4057 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7487 1.3795 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7399 3.1986 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4344 0.0500 3.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6863 0.4833 3.6002 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9825 1.1124 5.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2469 2.6902 4.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6233 1.9872 4.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
-M END
-> <Boiling Point>
-453.9
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 1.8494 1.8494 1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3860 1.8494 1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8790 3.3055 1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9298 1.0982 3.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4119 0.5390 1.5725 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2262 3.3109 1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4560 2.1951 2.8265 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4567 2.5389 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7478 1.3408 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2816 3.9249 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7767 3.7551 2.8572 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0275 1.1028 3.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5922 1.5441 3.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6038 0.0500 3.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4688 0.5473 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5437 4.1937 1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 6 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
-M END
-> <Boiling Point>
-487.2
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.0733 1.0733 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5853 1.0733 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1372 2.4911 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6536 2.4811 1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2547 4.2047 1.0734 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6763 0.0500 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6670 1.5831 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6684 1.5824 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9657 0.5153 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9593 0.5232 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7682 3.0426 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7544 3.0458 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0296 1.9426 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0408 1.9284 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5411 3.9759 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-371.6
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 2.1429 2.1429 2.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6561 2.1429 2.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2287 3.5576 2.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9191 3.4376 2.8702 S 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2267 4.1657 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7511 1.1177 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7354 2.6551 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7323 2.6434 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0253 1.5972 3.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0382 1.5755 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6181 4.1997 2.8203 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3682 4.6323 2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6168 5.1924 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8365 3.5854 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2063 4.2074 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-358.1
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.8268 1.8268 1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3496 1.8268 1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8742 3.2564 1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8722 1.0901 3.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8366 0.9415 0.2696 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4240 0.8046 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4366 2.3332 2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4240 2.3492 0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9722 3.2846 1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5247 3.8150 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5330 3.7986 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9702 1.0726 3.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5319 1.5775 3.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5204 0.0500 3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1389 1.0070 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-337.4
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.9826 1.9826 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5044 1.9826 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0283 3.4103 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0253 1.2035 3.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7085 0.5825 2.8360 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5763 0.9644 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5766 2.4455 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5903 2.5445 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8578 1.4706 1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1261 3.4319 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7011 3.9497 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6692 3.9755 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0196 1.8396 4.0917 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3566 0.3517 3.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9795 0.0500 3.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-361.6
-
-$$$$
-
- CDK 0203121541
-
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.0947 1.0947 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8957 1.0947 1.0947 S 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2673 2.8822 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7699 3.0828 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1200 4.5549 1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7612 0.0500 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5853 1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6694 1.5796 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8345 3.3638 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7890 3.3739 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1961 2.5941 2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2416 2.5790 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2073 4.7019 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7452 5.0595 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6941 5.0763 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
-M END
-> <Boiling Point>
-368.7
-
-$$$$
-
- CDK 0203121541
-
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 1.6268 1.6268 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0617 1.6268 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1088 2.8893 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3356 4.1013 1.6253 S 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5896 2.8907 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0298 3.2075 1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0381 0.7093 1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6517 0.7094 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.1421 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3433 3.5642 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2805 3.9885 2.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6332 2.3212 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 2 0 0 0 0
- 1 7 1 0 0 0 0
- 2 5 2 0 0 0 0
- 2 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 10 1 0 0 0 0
- 6 11 1 0 0 0 0
- 6 12 1 0 0 0 0
-M END
-> <Boiling Point>
-385.7
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 2.8688 2.8688 2.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3886 2.8688 2.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9298 4.2869 2.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8875 2.0658 4.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9856 2.5383 5.1830 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2341 0.6304 3.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4662 1.8476 2.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4606 3.3559 3.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4762 3.4036 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7441 2.3610 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0270 4.2945 2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5745 4.8423 1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6151 4.8429 3.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4564 0.0500 4.6782 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4011 0.1354 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1137 0.5782 3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
-M END
-> <Boiling Point>
-367.5
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 1.0730 1.0730 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5848 1.0730 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1404 2.4880 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6590 2.4841 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2184 3.8855 1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4059 4.1166 1.0571 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6757 0.0500 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5824 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6670 1.5823 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9633 0.5190 1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9633 0.5190 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7628 3.0408 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7612 3.0429 1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0400 1.9470 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0437 1.9161 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4956 4.7182 1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 16 1 0 0 0 0
-M END
-> <Boiling Point>
-376.1
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 2.0900 2.0900 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6021 2.0900 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1519 3.5084 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6680 3.5008 2.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3295 3.6550 3.0702 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3023 3.3030 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6938 1.0666 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6847 2.6017 2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6836 2.5966 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9810 1.5400 2.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9798 1.5356 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7725 4.0674 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7794 4.0547 2.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3968 3.2385 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9308 2.3848 0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0471 4.1419 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
-M END
-> <Boiling Point>
-375.5
-
-$$$$
-
- CDK 0203121541
-
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 1.0754 1.0754 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5853 1.0754 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2141 2.4556 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7304 2.4400 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3717 3.8069 1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5620 3.4803 1.0979 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6840 0.0500 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6687 1.5852 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6688 1.5832 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9657 0.5251 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9645 0.5235 0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0848 1.8632 1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0508 1.8589 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4662 3.7246 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0735 4.3839 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0975 4.3974 1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 6 2 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
-M END
-> <Boiling Point>
-375.1
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 1.0728 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5848 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1376 2.4891 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6621 2.4643 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1055 3.8194 1.0649 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4524 4.0107 1.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7041 5.1905 1.0742 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6753 0.0500 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5837 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6682 1.5818 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9637 0.5179 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9598 0.5202 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7708 3.0417 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7533 3.0482 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0469 1.9561 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0648 1.9251 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1616 3.1720 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 17 1 0 0 0 0
-M END
-> <Boiling Point>
-379.3
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.0198 2.0198 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5448 2.0198 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0965 3.4533 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5393 3.5183 1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9438 1.3354 3.2183 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0532 0.5538 3.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2699 0.0500 4.2275 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6156 0.9994 2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6116 2.5525 2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6336 2.5115 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9177 1.4724 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4728 4.0742 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9862 3.9022 3.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9132 4.5499 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1939 2.9206 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6679 3.1451 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6324 0.4300 2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 17 1 0 0 0 0
-M END
-> <Boiling Point>
-366.5
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.6193 2.6193 2.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1522 2.6193 2.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6711 4.0604 2.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6707 1.8661 3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5030 1.9346 1.3961 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8178 1.7666 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9285 1.1799 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2166 1.5978 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2339 3.1182 3.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2153 3.1479 1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7681 4.1061 2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3372 4.6089 1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2987 4.6013 3.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7674 1.8774 3.9083 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2875 2.3259 4.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3480 0.8166 3.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6277 2.1281 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 17 1 0 0 0 0
-M END
-> <Boiling Point>
-356
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 1.0801 1.0801 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5967 1.0801 1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0124 2.4412 1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3483 2.7292 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4720 3.9358 1.0753 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4274 1.6735 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8200 2.2592 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7022 0.0500 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6694 1.5857 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6697 1.5857 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9991 0.5654 1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9988 0.5626 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3040 1.0334 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2712 1.0086 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5756 1.4630 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9817 2.8715 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0149 2.8988 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
-M END
-> <Boiling Point>
-372.3
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 1.9498 1.9498 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4701 1.9498 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9993 3.3743 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9748 1.1742 3.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3388 0.8303 2.9424 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0182 0.3115 4.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1512 0.0500 3.6786 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5447 0.9300 1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5441 2.4338 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5565 2.4928 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8281 1.4369 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0966 3.3950 1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6514 3.9241 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6655 3.9327 2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8740 1.7766 4.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3956 0.2421 3.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5506 0.1733 4.9870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 17 1 0 0 0 0
-M END
-> <Boiling Point>
-371.2
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 3.6725 3.6725 3.6725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1761 3.6725 3.6725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9127 4.6396 3.6725 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6931 2.4109 3.6825 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1202 2.2231 3.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3457 0.8278 4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6597 2.3215 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2805 3.1612 4.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2777 4.6965 3.6675 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2806 3.1534 2.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6129 2.9836 4.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4192 0.6015 4.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9552 0.7377 5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8610 0.0500 3.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7360 2.1071 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1705 1.6071 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5172 3.3256 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 6 12 1 0 0 0 0
- 6 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
-M END
-> <Boiling Point>
-361.6
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 1.0740 1.0740 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5870 1.0740 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1268 2.4947 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6333 2.6156 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2652 3.6556 1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3226 1.4363 1.0963 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7337 1.4756 1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6793 0.0500 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6664 1.5823 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6672 1.5821 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9643 0.5186 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9617 0.5240 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7544 3.0413 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7361 3.0492 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9952 0.4143 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1375 1.9643 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1196 1.9693 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
-M END
-> <Boiling Point>
-375.9
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.1089 2.1089 2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6298 2.1089 2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1540 3.5356 2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1440 1.3321 3.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6245 1.0601 3.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5252 1.5282 3.9138 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0057 0.1564 2.3062 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7032 1.0893 2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7036 2.5964 3.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7144 2.6463 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9820 1.5967 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2515 3.5602 2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8058 4.0842 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8165 4.0916 2.9944 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9267 1.8942 4.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6084 0.3655 3.4126 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9517 0.0500 2.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 17 1 0 0 0 0
-M END
-> <Boiling Point>
-448.3
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.8972 2.8972 2.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4243 2.8972 2.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9300 4.3399 2.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9287 2.1686 4.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0020 2.1946 1.6708 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1729 2.0069 1.3876 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1234 1.7089 0.7634 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4914 1.8770 2.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5116 3.4086 3.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4907 3.4158 2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0271 4.3837 2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5812 4.8861 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5670 4.8781 3.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0257 2.1536 4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5681 2.6632 5.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5772 1.1293 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6027 1.2978 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 17 1 0 0 0 0
-M END
-> <Boiling Point>
-437
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 1.0729 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5849 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1359 2.4907 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6557 2.4771 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2989 3.8386 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4922 4.0927 1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4899 4.9228 1.0857 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6755 0.0500 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6671 1.5828 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6681 1.5824 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9648 0.5159 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9586 0.5229 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7664 3.0389 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7514 3.0462 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0273 1.9221 1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0402 1.9237 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0225 5.7126 1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 17 1 0 0 0 0
-M END
-> <Boiling Point>
-458.9
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 1.0740 1.0740 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5859 1.0740 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1185 2.5039 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5384 2.4164 1.1216 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2658 3.5714 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4439 3.2842 1.1641 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6630 4.9433 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6795 0.0500 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6664 1.5816 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6673 1.5821 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9684 0.5218 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9675 0.5243 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8046 3.0487 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7470 3.0712 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4414 5.7172 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0789 5.0816 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9946 5.1168 1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
-M END
-> <Boiling Point>
-374.6
-
-$$$$
-
- CDK 0203121541
-
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 1.0731 1.0731 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5851 1.0731 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1407 2.4880 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6604 2.4824 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2092 3.8905 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9850 3.8141 1.1982 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6756 0.0500 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6667 1.5825 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5823 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9644 0.5180 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9629 0.5208 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7875 3.0330 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7425 3.0517 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0195 1.9492 2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0625 1.9126 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9381 4.4312 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8387 4.4875 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
-M END
-> <Boiling Point>
-381.5
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.2134 2.2134 2.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7587 2.2134 2.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2226 3.6707 2.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7377 0.8873 2.2026 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2931 1.5168 3.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2946 1.5180 0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8347 2.7407 3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8351 2.7569 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3188 3.7370 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8651 4.2074 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8562 4.2103 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7922 0.9463 2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3900 1.5590 3.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9123 1.9891 4.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0017 0.4586 3.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3915 1.5607 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0047 0.4594 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9145 1.9906 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 3 9 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-386.3
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.0792 1.0792 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5956 1.0792 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0231 2.4331 1.0792 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4193 2.5907 1.3438 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7227 4.0683 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7863 2.1632 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6990 0.0500 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6687 1.5808 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6693 1.5894 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0009 0.5514 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9998 0.5691 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9933 1.9755 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7866 4.2694 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4910 4.3815 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1456 4.7119 1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8741 2.1463 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3653 2.8410 3.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4001 1.1532 2.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-326.1
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.0794 1.0794 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5962 1.0794 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0157 2.4355 1.0794 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4275 2.5831 1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7218 4.0803 1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2130 4.3278 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6997 0.0500 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6684 1.5853 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6689 1.5848 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9969 0.5576 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9966 0.5580 0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8647 2.0799 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8601 2.0980 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2702 4.5671 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2414 4.5568 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4363 5.4022 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6831 3.8872 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7110 3.8972 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-337
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.8762 1.8762 1.8762 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4114 1.8762 1.8762 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9245 3.3186 1.8762 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4219 3.3682 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9648 1.1237 3.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4339 0.5702 1.5843 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4834 2.2144 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4883 2.5747 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7732 1.3726 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4121 3.9049 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6574 3.8087 2.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8196 4.3773 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9310 2.6852 2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7018 3.0597 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0592 1.2535 3.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5437 1.4927 4.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7512 0.0500 3.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4922 0.5783 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-401.9
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.8735 1.8735 1.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4058 1.8735 1.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9228 3.3315 1.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4318 3.4352 1.8543 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9320 1.1274 3.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7824 1.1944 0.6805 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4741 0.8516 1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4833 2.3541 2.7799 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4692 2.4150 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4958 3.8756 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5243 3.8377 2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7646 4.4503 2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8827 2.7457 2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8538 3.1884 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0201 1.2711 3.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4574 1.5005 4.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7353 0.0500 3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7304 1.1943 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-375.1
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.2051 2.2051 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7336 2.2051 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2738 3.6361 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7793 3.6329 2.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9125 4.3455 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7753 0.8787 2.0041 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8086 2.5966 3.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8294 2.8732 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1151 1.6551 3.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1180 1.6557 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8016 4.1890 3.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1826 4.6537 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0551 3.1676 3.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2927 3.0759 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1534 5.4145 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4472 3.9197 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8329 4.2463 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8286 0.9036 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-404.4
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.2066 2.2066 2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7333 2.2066 2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2852 3.6564 2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8022 3.6660 2.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8439 4.3858 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1342 1.4656 3.3445 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8035 1.1972 2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7957 2.5902 3.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8317 2.8496 1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1110 1.6734 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8629 4.1851 3.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1856 4.6881 2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1513 3.0840 3.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2714 3.2327 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0986 5.4516 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3184 3.9700 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7531 4.3004 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0439 1.6918 3.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-384.6
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.0726 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5847 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1390 2.4878 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6645 2.4620 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1074 3.8141 1.0903 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5036 3.9468 1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6744 0.0500 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5825 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5834 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9639 0.5149 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9586 0.5223 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7733 3.0401 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7569 3.0470 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0501 1.9332 1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0639 1.9338 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6529 5.0291 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9626 3.4970 1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9583 3.5127 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-343.4
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.5434 2.5434 2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0550 2.5434 2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6397 3.9639 2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1167 3.9335 2.9314 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4793 4.4706 1.2123 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4406 5.8688 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1490 1.5204 2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1357 3.0924 3.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1369 3.0089 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4271 2.0091 3.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4397 1.9716 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0763 4.6033 3.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5638 4.9360 2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2446 3.5432 3.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7005 3.2961 2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3359 6.0462 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5817 6.2938 1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3613 6.3374 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-332.1
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.5646 2.5646 2.5646 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0969 2.5646 2.5646 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6218 4.0053 2.5646 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6137 1.8180 3.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4543 1.8848 1.3437 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8299 1.7540 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1608 1.5438 2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1800 3.0699 3.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1586 3.0867 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7028 4.0284 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1224 4.6167 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4586 4.4841 3.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7071 1.8774 3.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1894 2.2467 4.7165 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3397 0.7554 3.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8792 1.4834 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3772 2.6930 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2670 0.9569 1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-328.4
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.4219 1.4219 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9491 1.4219 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4827 2.8447 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0029 2.8628 1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5389 4.2771 1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9972 0.0783 1.4083 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0275 1.9397 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0279 1.9585 0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3318 0.8691 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3307 0.8717 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1228 3.3862 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0799 3.4033 2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3652 2.3262 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4066 2.3006 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6360 4.2873 1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2315 4.8219 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1806 4.8514 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 0.0960 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-410.9
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.1108 1.1108 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6355 1.1108 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1788 2.5498 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6960 2.5733 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2430 3.9728 1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0509 0.3769 2.2495 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7089 0.0896 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7017 1.6433 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7245 1.5998 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0121 0.5715 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7362 3.1079 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8421 3.0779 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1218 1.9027 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0222 2.1440 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3378 3.9832 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8543 4.6464 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9754 4.4061 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9677 0.5962 2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-392.1
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.3960 1.3960 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9077 1.3960 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4896 2.8167 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9989 2.7786 1.6987 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5908 4.1693 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2162 3.3863 0.1272 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0020 0.3721 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9895 1.9337 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9890 1.8747 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2827 0.8586 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2853 0.8302 0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9719 3.4386 2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1660 2.2590 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5199 2.1690 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6842 4.1377 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3411 4.7396 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2118 4.7411 2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7876 4.1443 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 6 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-388.4
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 0.9581 0.9581 0.9581 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3674 0.9581 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8275 2.4147 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3450 2.4942 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8179 3.9386 0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3430 4.0036 1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7105 5.3640 1.0385 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6887 0.0500 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7529 0.4209 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7484 0.4291 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4368 2.9379 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3997 2.9539 1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7374 1.9630 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7680 1.9589 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4375 4.4662 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3853 4.4807 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7330 3.4983 1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7848 3.4899 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6571 5.3870 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-512.2
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.0943 1.0943 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8953 1.0943 1.0943 S 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2670 2.8817 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7702 3.0784 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1259 4.5580 1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6236 4.7623 1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7600 0.0500 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6677 1.5816 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6691 1.5838 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8205 3.3663 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8019 3.3707 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2119 2.5795 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2267 2.5844 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6934 5.0546 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6578 5.0552 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8791 5.8294 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0782 4.3015 2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1093 4.3217 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 1 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 13 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-396.6
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.2131 2.2131 2.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0142 2.2131 2.2131 S 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4939 4.0132 2.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0176 4.0027 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9807 4.7212 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9807 4.7218 3.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8884 1.1653 2.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7823 2.6988 3.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7826 2.6965 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4146 5.0276 2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4179 3.4910 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4179 3.4964 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3328 5.7620 0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3301 4.2286 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8826 4.7472 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3312 5.7630 3.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8824 4.7465 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3290 4.2287 4.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- 4 10 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-372
-
-$$$$
-
- CDK 0203121541
-
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.0730 1.0730 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5851 1.0730 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1406 2.4882 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6616 2.4829 1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2073 3.8976 1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0299 3.8236 1.1705 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6756 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6663 1.5825 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6679 1.5825 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9632 0.5183 1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9631 0.5209 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7838 3.0323 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7399 3.0520 1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0164 1.9447 2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0592 1.9126 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8755 4.4323 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8073 4.4715 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2912 5.1038 1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
-M END
-> <Boiling Point>
-399.8
-
-$$$$
-
- CDK 0203121541
-
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 2.4209 2.4209 2.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8176 2.4209 2.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5154 3.6299 2.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8170 4.8392 2.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4207 4.8394 2.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7227 3.6299 2.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.6296 2.4284 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5838 6.2877 2.4368 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6534 6.2879 2.4269 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1883 3.6304 2.4166 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6537 0.9720 2.4181 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5847 0.9721 2.4168 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 9 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 8 1 0 0 0 0
- 6 7 1 0 0 0 0
-M END
-> <Boiling Point>
-582.6
-
-$$$$
-
- CDK 0203121541
-
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 2.0889 2.0889 2.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4980 2.0889 2.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3846 3.3089 2.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0891 4.5293 2.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4978 4.5292 2.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2022 3.3089 2.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1650 0.9329 2.0885 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4218 0.9331 2.0886 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.3089 2.0886 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4215 5.6849 2.0906 F 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1655 5.6848 2.0903 F 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5369 3.3092 2.0890 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 3 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 10 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 11 1 0 0 0 0
- 6 12 1 0 0 0 0
-M END
-> <Boiling Point>
-353.4
-
-$$$$
-
- CDK 0203121541
-
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 2.4237 2.4237 2.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8128 2.4237 2.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5048 3.6341 2.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8062 4.8431 2.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4137 4.8504 2.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7338 3.6357 2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1836 3.6392 2.4260 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6487 6.2953 2.4200 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.6304 2.4193 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8678 1.4796 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3694 1.4799 2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8633 5.7983 2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 7 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 9 1 0 0 0 0
-M END
-> <Boiling Point>
-486.2
-
-$$$$
-
- CDK 0203121541
-
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 2.4015 2.4015 2.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7938 2.4015 2.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5123 3.5950 2.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8285 4.8063 2.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4378 4.8264 2.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7345 3.6233 2.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6206 0.9336 2.4007 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.6464 2.4049 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8424 1.4590 2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6076 3.5724 2.4011 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3875 5.7480 2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8930 5.7767 2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 8 1 0 0 0 0
-M END
-> <Boiling Point>
-446.2
-
-$$$$
-
- CDK 0203121541
-
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 2.4316 2.4316 2.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8246 2.4316 2.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5113 3.6403 2.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8104 4.8440 2.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4204 4.8474 2.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7298 3.6374 2.4302 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5931 0.9756 2.4327 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.6294 2.4299 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3670 1.4797 2.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6063 3.6447 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3561 5.7935 2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8627 5.7903 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 8 1 0 0 0 0
-M END
-> <Boiling Point>
-453.6
-
-$$$$
-
- CDK 0203121541
-
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 1.8651 1.8651 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2589 1.8651 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9419 3.0750 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2220 4.2682 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8286 4.2682 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1452 3.0581 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0372 0.3975 1.8653 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0508 5.7353 1.8645 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8061 0.9161 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0373 3.0964 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2809 5.2169 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.0368 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 11 1 0 0 0 0
- 6 12 1 0 0 0 0
-M END
-> <Boiling Point>
-447.2
-
-$$$$
-
- CDK 0203121541
-
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 2.4500 2.4500 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8403 2.4500 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5474 3.6467 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8506 4.8541 2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4612 4.8902 2.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7656 3.6734 2.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4011 3.7637 2.4504 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7119 6.3034 2.4501 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9033 1.5001 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3820 1.4983 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6424 3.6485 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9267 5.8473 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8819 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 13 1 0 0 0 0
-M END
-> <Boiling Point>
-487
-
-$$$$
-
- CDK 0203121541
-
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 2.4510 2.4510 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8405 2.4510 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5463 3.6504 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8670 4.8633 2.4502 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4750 4.8826 2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7636 3.6723 2.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4006 3.7643 2.4500 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6666 6.3574 2.4487 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9033 1.5015 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3814 1.4989 2.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6410 3.6403 2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4183 5.8102 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8824 2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 8 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 13 1 0 0 0 0
-M END
-> <Boiling Point>
-447.5
-
-$$$$
-
- CDK 0203121541
-
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 2.4498 2.4498 2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8386 2.4498 2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5284 3.6593 2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8484 4.8764 2.4497 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4613 4.8918 2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7655 3.6733 2.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4009 3.7622 2.4498 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2154 3.6521 2.4499 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9048 1.4988 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3928 1.5049 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4132 5.8153 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9153 5.8420 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8803 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 13 1 0 0 0 0
-M END
-> <Boiling Point>
-493.1
-
-$$$$
-
- CDK 0203121541
-
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 1.8660 1.8660 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2681 1.8660 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9397 3.0811 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2322 4.2805 1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8419 4.2707 1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1458 3.0677 1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2642 0.6369 1.8644 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8222 0.9208 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0346 3.0943 1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7723 5.2325 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2885 5.2156 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.0681 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3249 0.7728 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 10 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 11 1 0 0 0 0
- 6 12 1 0 0 0 0
- 7 13 1 0 0 0 0
-M END
-> <Boiling Point>
-455
-
-$$$$
-
- CDK 0203121541
-
- 14 14 0 0 0 0 0 0 0 0999 V2000
- 2.4862 2.4862 2.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8853 2.4862 2.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5694 3.6955 2.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8751 4.9016 2.4852 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4860 4.9183 2.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7820 3.7093 2.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8890 1.2488 2.4953 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4123 3.8148 2.4794 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4333 1.5370 2.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6643 3.6967 2.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4264 5.8475 2.4839 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9411 5.8693 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9491 1.3761 2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.9381 2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 8 1 0 0 0 0
- 7 13 1 0 0 0 0
- 8 14 1 0 0 0 0
-M END
-> <Boiling Point>
-518.7
-
-$$$$
-
- CDK 0203121541
-
- 14 14 0 0 0 0 0 0 0 0999 V2000
- 1.8757 1.8757 1.8757 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2772 1.8757 1.8757 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9529 3.0898 1.8757 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2607 4.2944 1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8593 4.2776 1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1468 3.0717 1.8751 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2764 0.6471 1.8768 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2431 5.4978 1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8301 0.9300 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0481 3.0974 1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8015 5.2471 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.0636 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3364 0.7780 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3050 5.3537 1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 8 1 0 0 0 0
- 6 12 1 0 0 0 0
- 7 13 1 0 0 0 0
- 8 14 1 0 0 0 0
-M END
-> <Boiling Point>
-549.7
-
-$$$$
-
- CDK 0203121541
-
- 14 14 0 0 0 0 0 0 0 0999 V2000
- 2.4520 2.4520 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8395 2.4520 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5257 3.6736 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8328 4.8917 2.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4450 4.8915 2.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7587 3.6701 2.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3898 3.7494 2.4528 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8944 3.5934 2.4530 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9106 1.4989 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3930 1.5063 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3742 5.8449 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8921 5.8376 2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8634 2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2354 4.4789 2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 13 1 0 0 0 0
- 8 14 1 0 0 0 0
-M END
-> <Boiling Point>
-558.2
-
-$$$$
-
- CDK 0203121541
-
- 17 17 0 0 0 0 0 0 0 0999 V2000
- 1.7000 1.7000 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2205 1.7000 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7715 3.1166 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1673 3.9382 2.8194 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6573 3.8909 2.9245 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1570 2.4557 2.9019 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8484 4.6058 3.5734 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3226 0.6595 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3216 2.1550 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6014 1.1519 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5987 1.1476 2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5362 3.6222 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8769 3.0960 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2372 4.4604 2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3008 4.4053 3.8385 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.4464 2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4512 1.9395 3.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 7 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
-M END
-> <Boiling Point>
-428.9
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 3.4824 3.4824 3.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9892 3.4824 3.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6346 4.5108 3.4824 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6220 2.1053 3.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1353 2.1258 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8682 2.0341 4.4389 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6580 2.2279 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0789 2.3133 2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3590 2.4093 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0647 2.4675 3.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0906 4.0063 4.3645 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0917 4.0002 2.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2720 1.5539 4.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2410 1.5412 2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4500 3.2015 2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5520 1.4175 2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.4401 2.4864 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9984 1.5281 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8869 3.2911 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 9 17 1 0 0 0 0
- 9 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-454
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 3.5251 3.5251 3.5251 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0425 3.5251 3.5251 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4406 4.8924 3.5251 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7419 5.2713 3.5272 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7825 6.4816 3.5266 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9981 4.3987 3.5303 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1308 4.8259 3.5318 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7886 3.0565 3.5306 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9257 2.1842 3.5365 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3736 0.7725 3.5515 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1512 2.4934 3.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1124 4.0309 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1125 4.0254 2.6389 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4411 3.0155 4.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4418 3.0157 2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5413 2.3751 2.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5488 2.3909 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1996 0.0500 3.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7496 0.5810 4.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7607 0.5582 2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 16 1 0 0 0 0
- 9 17 1 0 0 0 0
- 10 18 1 0 0 0 0
- 10 19 1 0 0 0 0
- 10 20 1 0 0 0 0
-M END
-> <Boiling Point>
-458.9
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 1.6985 1.6985 1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2185 1.6985 1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7699 3.1148 1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2260 3.9602 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6903 3.9045 2.8951 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1566 2.4814 2.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8085 3.6213 4.0979 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3214 2.1370 0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3177 0.6595 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5965 1.1380 2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5971 1.1500 0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8764 3.0891 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5060 3.6168 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5646 5.0166 2.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3123 4.4415 3.7868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2999 4.4565 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4184 1.9646 3.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.4978 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5758 2.7189 4.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 7 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-434
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 3.1943 3.1943 3.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7035 3.1943 3.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3258 4.2384 3.1943 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4008 1.8230 3.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9208 1.9688 3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9817 1.0652 4.4569 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9697 1.0491 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7808 2.1751 3.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8024 3.7134 4.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8026 3.7132 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4083 0.9848 3.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2686 2.5076 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2770 2.5201 4.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4433 0.0692 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2883 1.5991 5.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8923 0.9252 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4249 0.0500 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8788 0.9157 1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2723 1.5679 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 5 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-379.4
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 4.0632 4.0632 4.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5828 4.0632 4.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1269 5.4804 4.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0853 3.2665 5.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1193 3.7358 6.3885 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5144 1.8493 4.9511 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0219 1.0657 6.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6652 3.0400 4.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6566 4.5795 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6697 4.5715 3.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9358 3.5527 3.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2240 5.4862 4.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7735 6.0360 3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8130 6.0383 4.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6465 1.3323 4.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2943 1.8909 4.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3128 0.0500 5.8412 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9005 1.5412 6.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2594 0.9741 6.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-386.5
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 1.0729 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5851 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1406 2.4881 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6603 2.4860 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2129 3.9007 1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7200 3.9097 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3678 4.9313 1.2012 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6750 0.0500 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6667 1.5829 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5824 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9635 0.5178 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9624 0.5205 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7844 3.0332 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7418 3.0510 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0158 1.9455 2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0581 1.9167 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8840 4.4338 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7926 4.4835 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2309 2.9327 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 19 1 0 0 0 0
-M END
-> <Boiling Point>
-401.5
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 3.8303 3.8303 3.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3387 3.8303 3.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9721 4.8686 3.8303 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9796 2.4608 3.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4968 2.4760 3.8147 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0587 1.0629 3.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5700 1.0704 3.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4152 2.8141 3.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4366 4.3517 4.7128 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4375 4.3481 2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6118 1.9101 4.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5943 1.9019 2.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8620 3.0130 2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8812 3.0522 4.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7014 0.5304 4.7442 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6650 0.4841 2.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.9734 0.0500 3.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.9538 1.5561 2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.9899 1.6085 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-400.9
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 3.5066 3.5066 3.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0188 3.5066 3.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5733 4.9216 3.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0795 5.3985 4.5037 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4523 5.6662 2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0862 7.0456 2.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9371 7.7140 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1147 2.4815 3.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1016 4.0229 4.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0956 4.0029 2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3941 2.9438 4.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4047 2.9687 2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9025 5.0418 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3741 5.7418 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6260 7.6731 2.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1580 6.9696 2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3770 8.7193 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4332 7.1427 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8821 7.8221 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-396.6
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 3.6705 3.6705 3.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1771 3.6705 3.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8163 4.7052 3.6705 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8111 2.2952 3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1970 2.2151 3.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9099 0.9564 3.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0937 2.2244 1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2853 3.0757 4.5088 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2446 4.6791 3.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2908 3.2227 2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8637 1.9865 4.7693 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1316 1.5657 3.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7968 3.1016 3.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9011 0.8681 3.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0563 0.9576 4.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3451 0.0500 3.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0886 2.2077 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5420 1.3522 1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5770 3.1235 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-389.6
-
-$$$$
-
- CDK 0203121541
-
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 3.9979 3.9979 3.9979 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5042 3.9979 3.9979 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1462 5.0296 3.9979 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1484 2.6147 4.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4538 2.5754 3.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3685 2.1705 5.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7690 0.7131 5.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6187 3.5824 3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6129 3.3734 4.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5715 5.0027 4.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4340 1.9036 3.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9509 1.6027 3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2892 2.7069 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1513 3.3580 3.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1507 2.8012 5.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4462 2.3407 6.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0720 0.4261 6.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9472 0.0500 5.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6147 0.5132 4.8439 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
-M END
-> <Boiling Point>
-390.6
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 5.1910 5.1910 5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6937 5.1910 5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4338 6.1557 5.1910 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2265 3.9358 5.1913 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6478 3.7978 5.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9325 2.2983 5.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.4321 2.0481 5.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7426 0.5687 5.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7614 4.1804 5.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8124 5.7185 6.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8130 5.7152 4.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0735 4.2856 4.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0765 4.3001 6.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4626 1.8217 6.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4721 1.8094 4.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8976 2.5144 4.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8939 2.5503 6.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.8253 0.3895 5.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.3257 0.0856 6.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.3301 0.0500 4.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-399.1
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 3.6523 3.6523 3.6523 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1563 3.6523 3.6523 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8927 4.6194 3.6523 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6718 2.3895 3.6592 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0963 2.1981 3.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3272 0.8415 4.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6376 2.2021 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1470 2.1026 2.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2605 3.1472 4.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2570 4.6760 3.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2595 3.1278 2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6014 2.9968 4.2588 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3829 0.5534 4.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1142 0.8647 5.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7082 0.0500 3.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2027 1.3572 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3182 3.1217 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5444 1.9706 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6131 3.0031 2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4755 1.2443 2.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 12 1 0 0 0 0
- 6 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-385.1
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 3.5527 3.5527 3.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0597 3.5527 3.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7786 4.5331 3.5527 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5655 2.2903 3.5530 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9856 2.0054 3.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0176 0.4687 3.5506 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6796 2.5315 2.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6750 2.5255 4.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1209 2.5431 3.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1762 4.0803 4.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1760 4.0778 2.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0542 0.1076 3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5131 0.0500 4.4316 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5268 0.0547 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6910 2.1114 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1337 2.2511 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7810 3.6246 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6955 2.1257 4.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7544 3.6205 4.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1400 2.2195 5.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 6 12 1 0 0 0 0
- 6 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-369.1
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 1.6968 1.6968 1.6968 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2096 1.6968 1.6968 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7485 3.1176 1.6968 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2557 3.2405 1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8815 4.2799 1.8296 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9408 2.0686 1.6236 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3699 2.1091 1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8392 0.6721 1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3024 0.6727 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2892 2.2050 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2902 2.2049 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5870 1.1441 2.5795 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5850 1.1443 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3872 3.6595 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3449 3.6768 2.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7327 2.7291 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7218 2.5739 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9357 0.6347 1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4846 0.0500 2.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4913 0.2009 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-394.6
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 3.2090 3.2090 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7212 3.2090 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3067 4.6228 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8281 4.5792 3.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4110 5.9411 3.6758 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9212 5.3692 1.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2661 6.3917 1.8421 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3518 4.8468 0.7708 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8159 2.1851 3.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8025 3.7512 4.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8005 3.6818 2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0911 2.6702 4.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1055 2.6390 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8717 5.1894 4.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0816 3.8758 4.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2977 4.1539 2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5000 5.8845 3.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2099 6.6596 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9960 6.3643 4.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0517 5.3920 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 6 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 8 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-466.9
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 3.0010 3.0010 3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5166 3.0010 3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9460 4.3582 3.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2020 4.6616 2.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3739 5.8532 2.7026 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1720 3.6367 1.9892 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0039 4.2376 0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0577 3.1142 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6229 1.9710 2.9979 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5913 3.5026 3.8876 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5900 3.5107 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9260 2.5149 3.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9226 2.4538 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5731 2.7827 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6936 3.4909 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3718 4.5995 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6066 5.0861 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7508 2.3500 2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6615 3.9148 3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4620 2.6571 3.9107 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-383
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 1.0729 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5849 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1409 2.4879 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6616 2.4807 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2059 3.8996 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7069 4.0002 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3818 5.0164 1.1736 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4160 2.8487 1.2008 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6753 0.0500 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6670 1.5821 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5830 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9635 0.5182 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9624 0.5205 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7857 3.0325 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7418 3.0509 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0149 1.9419 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0574 1.9100 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8686 4.4296 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7919 4.4771 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3460 3.0521 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 8 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-478.8
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 4.6160 4.6160 4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1183 4.6160 4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8617 5.5779 4.6160 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6435 3.3566 4.6131 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0646 3.2131 4.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3620 1.7062 4.6474 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.7998 1.4746 4.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1325 1.1287 6.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2241 4.0989 5.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2212 5.6400 4.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2242 4.1027 3.7281 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4799 3.6808 3.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5020 3.7287 5.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6855 1.1831 3.9271 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.0531 0.4067 4.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.9732 1.8285 3.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.5109 1.9967 4.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3366 0.0500 6.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7846 1.5994 6.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0955 1.2739 6.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 12 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-389.8
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 1.0728 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5850 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1405 2.4881 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6605 2.4811 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1973 3.9085 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6193 3.8207 1.1641 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2959 5.0015 1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4835 4.7980 1.2233 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6749 0.0500 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6668 1.5824 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5822 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9641 0.5184 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9619 0.5209 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7853 3.0323 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7435 3.0504 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0203 1.9439 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0590 1.9132 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9045 4.4398 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8176 4.4918 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7810 5.9715 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 20 1 0 0 0 0
-M END
-> <Boiling Point>
-405.5
-
-$$$$
-
- CDK 0203121541
-
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 1.0741 1.0741 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5857 1.0741 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1185 2.5046 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5383 2.4148 1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2769 3.5652 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4493 3.2543 1.1112 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6688 4.9465 1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7074 6.0437 1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6795 0.0500 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6666 1.5814 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6670 1.5822 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9705 0.5208 1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9634 0.5267 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7859 3.0551 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7606 3.0643 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0358 5.0475 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9823 5.0427 1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2295 7.0317 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3352 5.9804 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3777 5.9981 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
-M END
-> <Boiling Point>
-395.6
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.0797 1.0797 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5968 1.0797 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0153 2.4364 1.0797 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4268 2.5843 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7175 4.0825 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2160 4.3337 1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5281 5.8129 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7004 0.0500 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6692 1.5849 1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6692 1.5853 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9977 0.5580 1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9973 0.5586 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8570 2.1010 1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8676 2.0827 0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2835 4.5498 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2212 4.5807 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6467 3.8745 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7115 3.8252 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6101 5.9924 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1503 6.2878 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0756 6.3395 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-365.3
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.5811 1.5811 1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0983 1.5811 1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5214 2.9354 1.5811 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8739 3.1566 2.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0620 4.6741 1.9106 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0728 2.7077 3.4707 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8858 2.4479 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2016 0.5516 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1702 2.0856 2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1712 2.0883 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5024 1.0413 2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5004 1.0822 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0581 4.9632 2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9665 5.0211 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3216 5.2191 2.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1241 2.7989 3.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4736 3.3097 4.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7712 1.6553 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9081 2.7756 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8552 1.3573 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6974 2.6652 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-346
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 3.1641 3.1641 3.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6866 3.1641 3.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2464 4.5842 3.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0940 2.4490 4.3343 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4783 2.0883 4.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8207 1.6190 5.7212 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7536 0.9959 3.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7587 2.1444 3.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7540 3.6650 4.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7840 3.6912 2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0701 2.6083 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3384 4.5647 3.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0420 5.0875 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8137 5.1963 3.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0694 3.0093 4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8810 1.3427 5.7823 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6378 2.4041 6.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2299 0.7414 6.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8286 0.8010 3.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2638 0.0500 3.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3745 1.2975 2.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-341.5
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 2.1692 2.1692 2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6819 2.1692 2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2618 3.5885 2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7759 3.5184 2.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3801 4.8469 2.7778 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8939 4.2866 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8350 5.6774 1.0678 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7680 1.1546 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7612 2.5874 3.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7801 2.7784 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0539 1.6138 3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0601 1.6134 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8053 4.1530 3.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9966 2.7715 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2685 3.1324 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4557 4.7477 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2587 5.6013 1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9152 5.2499 3.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6231 4.0425 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8947 3.9334 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7475 6.0794 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 6 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-419.7
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5846 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1404 2.4877 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6608 2.4852 1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2127 3.9012 1.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7392 3.8802 1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1876 5.2160 1.1197 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6740 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5828 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6677 1.5827 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9645 0.5171 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9592 0.5218 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7731 3.0372 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7553 3.0459 1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0321 1.9290 1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0421 1.9339 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8540 4.4537 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8238 4.4606 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1113 3.3445 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1371 3.3451 0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1342 5.1810 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-430.6
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.0876 1.0876 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6123 1.0876 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1557 2.5263 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6745 2.5437 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2281 3.9475 1.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7389 3.9577 1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0269 0.3539 2.2270 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6850 0.0668 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6784 1.6238 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7012 1.5728 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9901 0.5476 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7256 3.0789 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8086 3.0613 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0871 1.8677 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0143 2.1182 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8139 4.6114 0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8828 4.3737 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1345 4.9735 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1782 3.3331 1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1109 3.5777 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9396 0.5851 2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-413
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.8756 1.8756 1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4118 1.8756 1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9219 3.3184 1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4268 3.3739 1.6616 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9664 4.7735 1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9627 1.1229 3.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4346 0.5659 1.5987 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4835 2.2232 2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4877 2.5661 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7735 1.3715 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4090 3.9053 1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6571 3.8106 2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9173 2.6673 2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6775 2.9981 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0508 4.8062 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5043 5.4791 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7785 5.1529 2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0575 1.2465 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5433 1.4953 4.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7437 0.0500 3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4910 0.5790 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-421.2
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.9062 1.9062 1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4331 1.9062 1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9645 3.3518 1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4114 3.4755 1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6661 4.8828 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4100 3.1504 2.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8308 1.1722 3.0504 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5033 0.8890 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4997 2.4944 2.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5159 2.3337 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8097 1.3627 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3119 3.9549 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8591 3.8025 2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5671 2.7592 0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7042 5.0014 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0156 5.1230 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4839 5.6379 1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4430 3.2600 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2899 3.8138 3.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2998 2.1157 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7658 1.3169 3.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-404.9
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.0729 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5851 1.0729 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1412 2.4878 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6607 2.4829 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1987 3.9104 1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6163 3.8229 1.1783 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2559 5.0706 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6746 0.0500 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6669 1.5823 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5830 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9636 0.5177 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9628 0.5204 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7872 3.0316 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7406 3.0512 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0164 1.9481 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0621 1.9109 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9067 4.4380 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8055 4.4993 1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3149 4.8098 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0677 5.6242 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9645 5.6919 2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-372
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 0.9577 0.9577 0.9577 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3672 0.9577 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8277 2.4139 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3444 2.4929 1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8209 3.9363 0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3356 4.0159 1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7992 5.4707 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2005 5.4713 1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6882 0.0500 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7547 0.4216 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7455 0.4255 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4554 2.9324 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3829 2.9576 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7163 1.9835 1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7868 1.9387 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4737 4.4374 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3569 4.4984 1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6862 3.5247 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8003 3.4461 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5191 5.9499 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3254 6.0574 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4732 6.3779 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 8 22 1 0 0 0 0
-M END
-> <Boiling Point>
-516.2
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 2.0645 2.0645 2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5986 2.0645 2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0990 3.5296 2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6169 3.6860 1.8762 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9372 4.9355 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1140 1.3050 3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9793 1.3896 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1959 3.7478 3.1680 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6646 1.0425 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6772 2.6068 2.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6567 2.5423 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5755 4.0788 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7729 4.0160 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0315 2.7849 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0200 5.0753 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5021 4.8663 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5398 5.8444 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2117 1.2689 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7787 1.7906 4.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7491 0.2696 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9256 1.4759 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1159 3.9417 3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 8 22 1 0 0 0 0
-M END
-> <Boiling Point>
-470.6
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.0745 1.0745 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5877 1.0745 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1306 2.4901 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9554 2.4398 1.1285 S 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3557 4.2199 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8598 4.3984 1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2331 5.8645 1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6809 0.0500 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5832 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6681 1.5828 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9671 0.5215 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9640 0.5228 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7910 3.0359 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7398 3.0558 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9582 4.6762 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8595 4.7490 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2505 3.9352 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3495 3.8570 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3210 5.9965 1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8941 6.3422 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7887 6.4226 1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-416
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.1384 1.1384 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6448 1.1384 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2810 2.8523 1.1384 S 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9546 2.6688 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4838 4.0872 2.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8305 1.9953 3.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8867 1.8606 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7504 0.1108 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7281 1.6361 2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7304 1.6516 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0437 0.5999 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0332 0.5994 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4740 4.0804 2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5865 4.5901 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8196 4.6995 2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8180 1.8027 3.7376 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2636 2.6131 4.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3087 1.0261 3.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8930 1.7952 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5220 0.8325 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9877 2.3138 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-393.6
-
-$$$$
-
- CDK 0203121541
-
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1413 2.4869 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6614 2.4822 1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2146 3.8993 1.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7306 3.8878 1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3330 5.6106 1.1309 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6743 0.0500 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5821 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5833 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9642 0.5165 1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9605 0.5220 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7734 3.0373 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7548 3.0469 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0289 1.9260 1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0457 1.9266 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8550 4.4508 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8214 4.4555 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0943 3.3429 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1280 3.3402 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6193 5.3808 1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
-M END
-> <Boiling Point>
-425.8
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 3.5223 3.5223 3.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0357 3.5223 3.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5746 4.9399 3.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4063 4.8372 3.5480 S 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1356 6.7194 3.6607 S 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3132 7.3619 1.9509 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8997 8.7580 2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0923 9.3516 0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1290 2.4977 3.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1156 4.0307 4.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1159 4.0298 2.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4142 2.9720 4.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4154 2.9694 2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2255 5.4924 2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2032 5.5013 4.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9659 6.7005 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3357 7.3813 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2364 9.4106 2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8676 8.7321 2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5278 10.3571 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.7663 8.7393 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1422 9.4367 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 8 20 1 0 0 0 0
- 8 21 1 0 0 0 0
- 8 22 1 0 0 0 0
-M END
-> <Boiling Point>
-469
-
-$$$$
-
- CDK 0203121541
-
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 3.0147 3.0147 3.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4061 3.0147 3.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1083 4.2137 3.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4165 5.4218 3.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0283 5.4291 3.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3195 4.2231 3.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8354 4.2806 3.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.7080 3.0204 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2534 5.1576 4.4387 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2550 5.1500 1.5890 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4712 2.0614 3.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9470 2.0623 3.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2034 4.2092 3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9661 6.3691 3.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4765 6.3772 3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 15 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
-M END
-> <Boiling Point>
-486.7
-
-$$$$
-
- CDK 0203121541
-
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 2.2170 2.2170 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6128 2.2170 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3067 3.4220 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6115 4.6267 2.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2198 4.6295 2.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5220 3.4282 2.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4723 0.9341 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3996 0.8510 3.6276 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4284 0.8370 0.7850 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1638 1.2693 2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4017 3.4206 2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1601 5.5745 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6722 5.5778 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4253 3.4183 2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1482 0.0500 2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 13 1 0 0 0 0
- 6 14 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 15 1 0 0 0 0
-M END
-> <Boiling Point>
-487
-
-$$$$
-
- CDK 0203121541
-
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 3.8088 3.8088 3.8088 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1990 3.8088 3.8088 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8989 5.0105 3.8088 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2072 6.2175 3.8086 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8169 6.2279 3.8091 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1120 5.0211 3.8092 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6317 4.9874 3.8085 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8940 4.0151 3.8020 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9902 6.1818 3.8159 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2582 2.8596 3.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7424 2.8579 3.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9940 5.0068 3.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7582 7.1640 3.8082 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2846 7.1864 3.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 6.0298 3.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 9 1 0 0 0 0
- 9 15 1 0 0 0 0
-M END
-> <Boiling Point>
-522.4
-
-$$$$
-
- CDK 0203121541
-
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 2.4494 2.4494 2.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8367 2.4494 2.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5474 3.6521 2.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8556 4.8670 2.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4689 4.8895 2.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7669 3.6752 2.4492 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4057 3.7669 2.4491 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0280 3.6057 2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7345 4.5892 2.4486 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9017 1.5000 2.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3774 1.4950 2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4170 5.8099 2.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9273 5.8424 2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8867 2.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4848 2.6011 2.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 14 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 15 1 0 0 0 0
-M END
-> <Boiling Point>
-583.2
-
-$$$$
-
- CDK 0203121541
-
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 2.4515 2.4515 2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8526 2.4515 2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5539 3.6430 2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8696 4.8633 2.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4877 4.8965 2.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7683 3.6844 2.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7232 1.1730 2.4519 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5041 1.1279 2.4552 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4177 3.7850 2.4512 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3891 1.4952 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6485 3.6356 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4368 5.8005 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9493 5.8514 2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3118 0.2422 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8944 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 13 1 0 0 0 0
- 6 9 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 14 1 0 0 0 0
- 9 15 1 0 0 0 0
-M END
-> <Boiling Point>
-469.7
-
-$$$$
-
- CDK 0203121541
-
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 3.0087 3.0087 3.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4005 3.0087 3.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1023 4.2082 3.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4082 5.4149 3.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0199 5.4195 3.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3102 4.2141 3.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8238 4.2870 3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.6867 3.0061 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4653 2.0554 3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9420 2.0570 3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1970 4.2051 3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9571 6.3622 3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4753 6.3704 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4663 4.8349 3.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4671 4.8355 2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
-M END
-> <Boiling Point>
-452.6
-
-$$$$
-
- CDK 0203121541
-
- 16 16 0 0 0 0 0 0 0 0999 V2000
- 2.4980 2.4980 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8968 2.4980 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5981 3.6960 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9098 4.9057 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5210 4.9103 2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8130 3.7112 2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8091 1.1634 2.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4119 1.3209 2.5716 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4401 1.5464 2.4978 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6928 3.6886 2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4625 5.8506 2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9772 5.8606 2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7171 3.7336 2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0746 0.6199 1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1720 0.5572 3.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 0.4455 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 13 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
-M END
-> <Boiling Point>
-477.9
-
-$$$$
-
- CDK 0203121541
-
- 16 16 0 0 0 0 0 0 0 0999 V2000
- 2.4447 2.4447 2.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8346 2.4447 2.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5426 3.6396 2.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8645 4.8618 2.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4717 4.8842 2.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7693 3.6717 2.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6312 6.1345 2.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4039 3.7698 2.4471 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8953 1.4968 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3745 1.4921 2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6379 3.6270 2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9300 5.8380 2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0391 6.9769 2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5418 6.0654 3.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9374 6.3826 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8892 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 7 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 8 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
-M END
-> <Boiling Point>
-475.4
-
-$$$$
-
- CDK 0203121541
-
- 16 16 0 0 0 0 0 0 0 0999 V2000
- 2.4375 2.4375 2.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8266 2.4375 2.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5259 3.6389 2.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8393 4.8484 2.4372 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4453 4.8817 2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7489 3.6578 2.4372 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3811 3.7232 2.4375 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7235 6.1793 2.4354 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8919 1.4868 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3693 1.4867 2.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6204 3.6342 2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4010 5.7899 2.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8338 2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0717 6.2678 3.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4127 7.0343 2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0881 6.2739 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 8 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 13 1 0 0 0 0
- 8 14 1 0 0 0 0
- 8 15 1 0 0 0 0
- 8 16 1 0 0 0 0
-M END
-> <Boiling Point>
-464.2
-
-$$$$
-
- CDK 0203121541
-
- 16 16 0 0 0 0 0 0 0 0999 V2000
- 2.4496 2.4496 2.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8388 2.4496 2.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5478 3.6509 2.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8535 4.8636 2.4502 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4665 4.8855 2.4492 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7655 3.6714 2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0334 3.6451 2.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3996 3.7628 2.4489 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9041 1.4992 2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3798 1.4966 2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4111 5.8071 2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9250 5.8379 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4476 4.4909 2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4444 2.7240 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4078 3.7207 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8805 2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 7 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 8 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
-M END
-> <Boiling Point>
-475.1
-
-$$$$
-
- CDK 0203121541
-
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 1.1936 1.1936 1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7097 1.1936 1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1235 2.5561 1.1936 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4549 2.8485 1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5886 4.0524 1.1435 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5288 1.7896 1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9195 2.3572 1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7441 2.5805 0.3904 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2094 2.5737 2.5639 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4669 3.1732 2.8907 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4962 3.3070 4.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8163 0.1633 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7833 1.7004 2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7827 1.6978 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1106 0.6810 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1139 0.6761 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3334 0.9900 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4759 1.3025 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2909 2.5357 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5469 4.1566 2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4387 3.7724 4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6759 3.9331 4.7756 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4220 2.3336 4.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 15 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 19 1 0 0 0 0
- 10 20 1 0 0 0 0
- 11 21 1 0 0 0 0
- 11 22 1 0 0 0 0
- 11 23 1 0 0 0 0
-M END
-> <Boiling Point>
-472
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 2.3883 2.3883 2.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9070 2.3883 2.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4623 3.8041 2.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4564 1.6289 3.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3112 0.7781 3.4539 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8997 2.0010 4.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7265 0.7836 5.8642 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8099 3.0277 5.6279 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9893 1.3703 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9874 2.8136 3.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9901 2.9802 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2520 1.8796 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5404 3.8082 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9756 4.4229 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3184 4.2989 3.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8902 2.4690 4.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3047 1.0679 6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0488 0.0500 5.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6829 0.2778 6.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4124 3.3438 6.6008 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8194 2.6303 5.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9006 3.9256 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 8 20 1 0 0 0 0
- 8 21 1 0 0 0 0
- 8 22 1 0 0 0 0
-M END
-> <Boiling Point>
-397.6
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5846 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1396 2.4878 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6598 2.4853 1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2137 3.9008 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7321 3.8975 1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2924 5.2983 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4801 5.5286 1.1392 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5825 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5825 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9646 0.5176 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9604 0.5218 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7714 3.0366 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7520 3.0464 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0299 1.9299 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0440 1.9315 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8543 4.4508 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8177 4.4590 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0973 3.3453 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1304 3.3384 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5702 6.1319 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 20 1 0 0 0 0
- 6 21 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 22 1 0 0 0 0
-M END
-> <Boiling Point>
-426
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 1.0848 1.0848 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5923 1.0848 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2235 2.4598 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7407 2.4535 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2922 3.8706 1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8109 3.8709 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3658 5.2773 1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2307 0.0500 1.0839 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6598 0.0727 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7009 1.6096 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7022 1.6051 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8659 3.0011 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8221 3.0239 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0955 1.9121 2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1396 1.8851 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9597 4.4026 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8744 4.4483 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1439 3.3306 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2280 3.2992 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4618 5.2725 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0871 5.8246 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9950 5.8580 2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 7 22 1 0 0 0 0
-M END
-> <Boiling Point>
-424
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 1.0738 1.0738 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5863 1.0738 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1344 2.4896 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6471 2.5751 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1836 3.9909 1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6939 4.0957 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1502 5.5351 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3626 1.5963 1.2101 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6782 0.0500 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6659 1.5816 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6668 1.5819 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9656 0.5194 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9658 0.5226 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7856 3.0305 0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7274 3.0534 1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8400 4.4512 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7021 4.5795 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0338 3.6436 2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1740 3.4970 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2417 5.6096 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8661 5.9964 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7142 6.1480 1.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 7 22 1 0 0 0 0
-M END
-> <Boiling Point>
-417.2
-
-$$$$
-
- CDK 0203121541
-
- 22 22 0 0 0 0 0 0 0 0999 V2000
- 2.2129 2.2129 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7554 2.2129 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3318 3.6187 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8000 4.4373 3.3779 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2823 4.4990 3.3375 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6749 3.1071 3.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6565 2.6593 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8456 0.8550 2.4575 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1237 1.6620 3.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1285 1.6515 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4367 3.5658 2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0981 4.1291 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1365 3.9944 4.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2245 5.4592 3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9029 5.0816 4.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9509 5.0506 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8902 2.6216 4.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5709 3.1788 3.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5581 2.6769 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0008 3.6696 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9792 1.9852 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8982 0.8281 2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 11 1 0 0 0 0
- 3 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 15 1 0 0 0 0
- 5 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 8 22 1 0 0 0 0
-M END
-> <Boiling Point>
-441.2
-
-$$$$
-
- CDK 0203121541
-
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 2.3889 2.3889 2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8963 2.3889 2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5260 3.7629 2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0451 3.7648 2.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5943 5.1815 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0967 5.1964 2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2573 5.7120 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5355 1.3545 2.3897 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9639 1.3768 2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0050 2.9118 3.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0055 2.9108 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1739 4.3200 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1347 4.3261 3.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4175 3.3336 3.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4352 3.1061 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1154 5.8468 2.9803 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5084 6.2044 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3556 4.8694 3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6153 4.5295 1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4781 6.7827 0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8196 5.1896 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1839 5.5696 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 12 1 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 16 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 7 22 1 0 0 0 0
-M END
-> <Boiling Point>
-418
-
-$$$$
-
- CDK 0203121541
-
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 1.0728 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5848 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1363 2.4895 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6620 2.4637 1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0964 3.8182 1.0889 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4366 4.0849 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5772 5.2896 1.1167 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4989 3.0131 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9005 3.5781 1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6753 0.0500 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5832 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6681 1.5825 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9638 0.5170 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9593 0.5220 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7691 3.0411 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7536 3.0491 1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0461 1.9370 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0613 1.9397 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3427 2.3815 2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3546 2.3443 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6443 2.7715 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0953 4.1793 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0803 4.2242 2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
- 9 21 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 23 1 0 0 0 0
-M END
-> <Boiling Point>
-419.8
-
-$$$$
-
- CDK 0203121541
-
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 4.5018 4.5018 4.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0226 4.5018 4.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5469 5.9283 4.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5359 3.7234 5.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0182 3.4350 5.6165 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9229 3.9872 6.2117 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3078 2.4142 4.7588 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6763 2.0532 4.5639 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6849 0.9259 3.5496 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0977 3.4822 4.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0966 4.9733 5.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1071 5.0561 3.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3748 3.9894 3.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6446 5.9530 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2047 6.4748 3.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2035 6.4863 5.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3379 4.2916 6.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9839 2.7669 5.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.2470 2.9294 4.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.1173 1.7372 5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7163 0.6031 3.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1229 0.0500 3.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2491 1.2314 2.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
- 9 21 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 23 1 0 0 0 0
-M END
-> <Boiling Point>
-407.5
-
-$$$$
-
- CDK 0203121541
-
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1398 2.4877 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6601 2.4857 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2103 3.9037 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7293 3.8903 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3728 5.2523 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5658 5.5056 1.1558 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5635 6.3362 1.1183 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5827 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6677 1.5826 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9641 0.5167 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9601 0.5221 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7713 3.0376 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7532 3.0468 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0288 1.9295 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0442 1.9321 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8487 4.4516 0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8142 4.4600 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0910 3.3345 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1231 3.3354 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0956 7.1263 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 19 1 0 0 0 0
- 5 20 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 21 1 0 0 0 0
- 6 22 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 9 1 0 0 0 0
- 9 23 1 0 0 0 0
-M END
-> <Boiling Point>
-496.2
-
-$$$$
-
- CDK 0203121541
-
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 1.0726 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5847 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1406 2.4878 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6607 2.4824 1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2142 3.8982 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7387 3.8702 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1849 5.2241 1.1084 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5330 5.4120 1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7865 6.5915 1.1129 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6744 0.0500 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6673 1.5819 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5834 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9635 0.5177 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9605 0.5195 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7727 3.0390 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7537 3.0469 1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0281 1.9262 1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0427 1.9276 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8585 4.4520 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8234 4.4567 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1149 3.3610 2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1478 3.3294 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2407 4.5709 1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 19 1 0 0 0 0
- 5 20 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 21 1 0 0 0 0
- 6 22 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 23 1 0 0 0 0
-M END
-> <Boiling Point>
-428.6
-
-$$$$
-
- CDK 0203121541
-
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 2.2039 2.2039 2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7168 2.2039 2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2571 3.6243 2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7643 3.7451 2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3946 4.7867 2.2167 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4465 2.5662 2.2223 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8745 2.6056 2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3424 1.1528 2.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8527 1.0891 2.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8093 1.1799 2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7961 2.7120 3.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7970 2.7117 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0956 1.6477 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0889 1.6544 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8854 4.1708 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8683 4.1785 3.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2420 3.1331 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2314 3.1621 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9406 0.6351 3.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9365 0.6000 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.2046 0.0500 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.2780 1.5599 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.2818 1.6004 3.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
- 9 21 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 23 1 0 0 0 0
-M END
-> <Boiling Point>
-416.5
-
-$$$$
-
- CDK 0203121541
-
- 24 23 0 0 0 0 0 0 0 0999 V2000
- 1.0726 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1414 2.4874 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6610 2.4857 1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2163 3.9006 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7345 3.8969 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2758 5.3241 1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6799 5.2494 1.2465 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6745 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6670 1.5829 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6679 1.5827 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9627 0.5184 1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9620 0.5199 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7841 3.0324 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7412 3.0505 1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0170 1.9449 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0590 1.9158 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8818 4.4300 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7956 4.4785 1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0727 3.3720 2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1505 3.3150 0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9863 5.8392 0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8618 5.9170 1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9979 6.1416 1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 20 1 0 0 0 0
- 6 21 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
-M END
-> <Boiling Point>
-449.5
-
-$$$$
-
- CDK 0203121541
-
- 24 23 0 0 0 0 0 0 0 0999 V2000
- 1.1502 1.1502 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6744 1.1502 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2192 2.5885 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7344 2.6071 1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2916 4.0091 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8083 4.0196 1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3642 5.4163 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0899 0.4178 2.2905 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7482 0.1289 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7409 1.6808 2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7636 1.6413 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0538 0.6103 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7612 3.1547 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9002 3.1099 2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1716 1.9217 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0433 2.1917 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8539 4.6848 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9802 4.4246 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2438 3.3478 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1214 3.5986 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4592 5.4199 1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9812 6.0962 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0988 5.8474 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0085 0.6337 2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 8 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
-M END
-> <Boiling Point>
-432.4
-
-$$$$
-
- CDK 0203121541
-
- 24 23 0 0 0 0 0 0 0 0999 V2000
- 2.3959 2.3959 2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9229 2.3959 2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4563 3.8178 2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9767 3.8439 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5095 5.2677 2.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0145 5.2995 2.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1441 5.8125 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9702 1.0524 2.3954 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0016 2.9233 3.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0027 2.9223 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3056 1.8482 3.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3080 1.8409 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0821 4.3782 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0682 4.3690 3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3652 3.4044 3.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3666 3.2000 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0328 5.9157 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4099 6.3162 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2923 4.9549 3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5337 4.6561 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3665 6.8834 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6916 5.2975 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0675 5.6703 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0232 1.0707 2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
-M END
-> <Boiling Point>
-445.2
-
-$$$$
-
- CDK 0203121541
-
- 24 23 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5844 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1418 2.4868 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6625 2.4811 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2192 3.8956 1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7399 3.8862 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2909 5.2989 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1106 5.2228 1.2104 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6665 1.5827 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5820 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9642 0.5145 1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9581 0.5224 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7757 3.0375 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7580 3.0449 1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0314 1.9371 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0459 1.9146 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8719 4.4290 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8138 4.4707 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0846 3.3595 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1447 3.3031 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9810 5.8148 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8721 5.8920 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3777 6.5004 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 20 1 0 0 0 0
- 6 21 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
-M END
-> <Boiling Point>
-450.1
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 2.9304 2.9304 2.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3166 2.9304 2.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0208 4.1429 2.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3082 5.3616 2.9312 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9133 5.3514 2.9215 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2245 4.1379 2.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7422 4.1653 2.9192 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.1723 2.9446 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0159 6.5580 2.8293 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0158 7.3169 4.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3793 4.0500 2.9302 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3820 1.9801 2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8671 1.9818 2.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3606 6.3002 2.9133 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2718 5.1631 2.8908 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5813 8.2079 3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0020 7.5933 4.3311 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5194 6.7907 4.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7412 4.9272 2.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 9 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 15 1 0 0 0 0
- 9 10 1 0 0 0 0
- 10 16 1 0 0 0 0
- 10 17 1 0 0 0 0
- 10 18 1 0 0 0 0
- 11 19 1 0 0 0 0
-M END
-> <Boiling Point>
-558
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 4.0658 4.0658 4.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4549 4.0658 4.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1392 5.2870 4.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4357 6.4993 4.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0489 6.4743 4.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3490 5.2630 4.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8545 5.3265 4.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1383 3.9956 4.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5063 5.2163 4.0660 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5373 3.1051 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0087 3.1204 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9659 7.4584 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4936 7.4194 4.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5341 5.9052 4.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5346 5.9264 3.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 4.1422 4.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3868 3.4047 3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3821 3.3843 4.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8423 6.1039 4.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-491.1
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 2.6901 2.6901 2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1010 2.6901 2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8326 3.8827 2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1516 5.0940 2.6905 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7655 5.1143 2.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0294 3.9240 2.6879 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9592 1.3956 2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5455 4.0326 2.6758 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7159 1.4655 2.6882 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9286 3.8708 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7140 6.0334 2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2340 6.0725 2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8693 1.5319 2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1535 0.8395 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2778 0.7626 3.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.0638 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1945 4.7260 3.4516 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1972 4.4137 1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6533 1.6138 2.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 8 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-490.1
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 2.4394 2.4394 2.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8278 2.4394 2.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5332 3.6422 2.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8361 4.8519 2.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4433 4.8809 2.4415 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7475 3.6569 2.4381 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0189 3.6407 2.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7203 6.1780 2.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3792 3.7203 2.4348 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8964 1.4871 2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3704 1.4875 2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3958 5.7956 2.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4322 4.4903 2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4324 2.7226 2.8603 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3911 3.7121 1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0749 6.2659 3.3281 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4079 7.0340 2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0778 6.2705 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8301 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 7 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-484.1
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 2.4371 2.4371 2.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8309 2.4371 2.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5195 3.6507 2.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8244 4.8540 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4306 4.8816 2.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7431 3.6534 2.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5769 1.1525 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7021 6.1753 2.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3746 3.7086 2.4330 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8947 1.4834 2.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6150 3.6546 2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3813 5.7985 2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5436 1.2384 2.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0132 0.3455 2.9104 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7785 0.8389 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0524 6.2637 3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3869 7.0339 2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0638 6.2635 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8167 2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-484.3
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 2.0187 2.0187 2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4165 2.0187 2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1138 3.2377 2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3896 4.4479 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9949 4.4200 2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3103 3.2124 2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1083 0.7000 2.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0818 5.7657 2.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4818 3.1723 2.0147 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4853 1.0616 2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4338 5.3616 2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2161 3.2027 2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1924 0.7727 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7097 0.0500 2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9411 0.1872 1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3669 6.5997 2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7209 5.8816 2.9223 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7154 5.8969 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8176 4.0609 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 11 1 0 0 0 0
- 6 12 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-474.2
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 2.6686 2.6686 2.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0631 2.6686 2.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7564 3.8835 2.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0671 5.1030 2.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6799 5.0882 2.6769 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9702 3.8857 2.6719 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9559 1.3637 2.6576 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4841 3.9301 2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1232 3.7985 2.6657 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6131 1.7196 2.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6058 6.0572 2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1302 6.0366 2.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9347 1.4572 3.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8690 0.9837 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4851 0.6061 3.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 3.0012 3.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0981 4.7679 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1087 4.0482 1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4679 4.6827 2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 10 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 8 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-500.2
-
-$$$$
-
- CDK 0203121541
-
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 2.4454 2.4454 2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8401 2.4454 2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5377 3.6525 2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8509 4.8684 2.4423 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4582 4.8854 2.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7646 3.6684 2.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5802 1.1566 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6123 6.1447 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3982 3.7568 2.4423 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8990 1.4946 2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6340 3.6486 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9113 5.8358 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5594 1.2428 2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0236 0.3598 2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7548 0.8281 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0093 6.9892 2.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5101 6.0848 3.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9394 6.3823 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 2.8739 2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 9 1 0 0 0 0
- 7 13 1 0 0 0 0
- 7 14 1 0 0 0 0
- 7 15 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
-M END
-> <Boiling Point>
-494.9
-
-$$$$
-
- CDK 0203121541
-
- 24 23 0 0 0 0 0 0 0 0999 V2000
- 3.0787 3.0787 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5953 3.0787 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0373 4.4310 3.0787 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1118 4.8104 2.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3430 5.9811 2.5470 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8386 3.9154 1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9369 4.2557 0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6585 5.5592 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6884 5.7707 0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1044 6.5334 1.5190 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7819 7.7986 1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9665 8.7042 2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7000 2.0490 3.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6694 3.5998 3.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6665 3.5682 2.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0024 2.6226 3.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9929 2.5026 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4136 2.9053 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4012 3.5184 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8078 7.6560 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8647 8.2131 0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4447 9.6892 2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9472 8.8532 2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8766 8.3009 3.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 16 1 0 0 0 0
- 2 17 1 0 0 0 0
- 3 4 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 18 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 19 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 20 1 0 0 0 0
- 11 21 1 0 0 0 0
- 12 22 1 0 0 0 0
- 12 23 1 0 0 0 0
- 12 24 1 0 0 0 0
-M END
-> <Boiling Point>
-498.2
-
-$$$$
-
- CDK 0203121541
-
- 25 24 0 0 0 0 0 0 0 0999 V2000
- 1.0727 1.0727 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5847 1.0727 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1414 2.4875 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6612 2.4840 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2172 3.8988 1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7361 3.8945 1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2916 5.3078 1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7970 5.3155 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4466 6.3361 1.2564 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6745 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6668 1.5829 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5825 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9627 0.5173 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9615 0.5202 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7837 3.0330 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7442 3.0503 1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0187 1.9423 2.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0558 1.9150 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8785 4.4311 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8040 4.4758 1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0744 3.3665 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1472 3.3117 0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9795 5.8273 0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8582 5.9041 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3049 4.3383 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 19 1 0 0 0 0
- 5 20 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 21 1 0 0 0 0
- 6 22 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 23 1 0 0 0 0
- 7 24 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 25 1 0 0 0 0
-M END
-> <Boiling Point>
-447.2
-
-$$$$
-
- CDK 0203121541
-
- 25 24 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5847 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1400 2.4877 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6603 2.4867 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2100 3.9044 1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7278 3.8998 1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3581 5.2750 1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8649 5.2752 1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7180 6.3080 1.1696 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6740 0.0500 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5829 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5827 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9646 0.5163 1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9596 0.5221 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7716 3.0379 0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7547 3.0465 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0307 1.9303 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0434 1.9346 0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8492 4.4555 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8166 4.4621 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0918 3.3437 2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1212 3.3452 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2906 6.2854 1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2714 4.6936 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2247 4.8143 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 19 1 0 0 0 0
- 5 20 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 21 1 0 0 0 0
- 6 22 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 2 0 0 0 0
- 8 23 1 0 0 0 0
- 8 24 1 0 0 0 0
- 8 25 1 0 0 0 0
-M END
-> <Boiling Point>
-445.8
-
-$$$$
-
- CDK 0203121541
-
- 26 25 0 0 0 0 0 0 0 0999 V2000
- 1.0728 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5848 1.0728 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1366 2.4896 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6625 2.4658 1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0955 3.8209 1.0895 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4354 4.0899 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5748 5.2949 1.1013 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4984 3.0193 1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9068 3.5900 1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.9384 2.4843 1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6751 0.0500 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5831 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6681 1.5826 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9641 0.5169 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9589 0.5221 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7697 3.0415 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7546 3.0486 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0495 1.9420 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0632 1.9421 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3448 2.3580 1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3577 2.3765 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0604 4.2401 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0377 4.2494 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.9559 2.8952 1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8329 1.8430 2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8572 1.8369 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 20 1 0 0 0 0
- 8 21 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 23 1 0 0 0 0
- 10 24 1 0 0 0 0
- 10 25 1 0 0 0 0
- 10 26 1 0 0 0 0
-M END
-> <Boiling Point>
-438.2
-
-$$$$
-
- CDK 0203121541
-
- 26 25 0 0 0 0 0 0 0 0999 V2000
- 1.0727 1.0727 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5847 1.0727 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1410 2.4876 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6609 2.4835 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2163 3.8987 1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7349 3.8911 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2734 5.3176 1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6932 5.2303 1.2542 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3679 6.4121 1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.5541 6.2091 1.3712 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6747 0.0500 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6671 1.5822 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5833 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9631 0.5180 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9618 0.5202 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7868 3.0322 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7423 3.0506 1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0170 1.9428 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0586 1.9164 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8824 4.4298 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7995 4.4749 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0727 3.3645 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1533 3.3114 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0022 5.8379 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8718 5.9118 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8526 7.3821 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 20 1 0 0 0 0
- 5 21 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 22 1 0 0 0 0
- 6 23 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 24 1 0 0 0 0
- 7 25 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 2 0 0 0 0
- 9 26 1 0 0 0 0
-M END
-> <Boiling Point>
-451.3
-
-$$$$
-
- CDK 0203121541
-
- 26 25 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1406 2.4874 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6612 2.4823 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2138 3.8983 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7392 3.8693 1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1792 5.2223 1.1257 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5208 5.4743 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6868 6.6762 1.1424 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5758 4.4083 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6673 1.5822 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6677 1.5832 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9643 0.5156 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9584 0.5222 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7733 3.0382 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7575 3.0461 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0308 1.9254 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0412 1.9307 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8554 4.4531 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8268 4.4574 1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1169 3.3394 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1429 3.3442 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.5827 4.8448 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4759 3.7450 1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5025 3.7914 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 20 1 0 0 0 0
- 5 21 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 22 1 0 0 0 0
- 6 23 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 10 1 0 0 0 0
- 10 24 1 0 0 0 0
- 10 25 1 0 0 0 0
- 10 26 1 0 0 0 0
-M END
-> <Boiling Point>
-444.7
-
-$$$$
-
- CDK 0203121541
-
- 26 25 0 0 0 0 0 0 0 0999 V2000
- 5.1337 5.1337 5.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6541 5.1337 5.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1829 6.5583 5.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1594 4.3566 6.3565 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5361 4.0601 6.1514 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1063 3.0345 6.8520 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.2864 3.0018 6.5757 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3393 2.1242 7.7995 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8794 0.7066 7.7457 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4223 2.6868 9.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7279 4.1148 5.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7283 5.6046 6.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7400 5.6877 4.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0109 4.6222 4.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2801 6.5790 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8324 7.1088 4.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8508 7.1145 6.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0691 4.9539 7.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5752 3.4215 6.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2632 2.1103 7.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3132 0.0500 8.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8075 0.2878 6.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.9346 0.6611 8.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8558 2.0624 9.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4589 2.7296 9.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0088 3.7030 9.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 20 1 0 0 0 0
- 9 21 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 23 1 0 0 0 0
- 10 24 1 0 0 0 0
- 10 25 1 0 0 0 0
- 10 26 1 0 0 0 0
-M END
-> <Boiling Point>
-420.6
-
-$$$$
-
- CDK 0203121541
-
- 27 26 0 0 0 0 0 0 0 0999 V2000
- 3.4273 3.4273 3.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9390 3.4273 3.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5212 4.8486 3.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0171 4.8184 3.7306 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2907 5.3918 2.1245 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1264 6.8098 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1094 7.2121 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8250 7.2414 2.7994 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7325 8.7468 2.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0316 2.4042 3.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0205 3.9625 4.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0212 3.9119 2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3161 2.8918 4.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3204 2.8594 2.5553 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9851 5.4704 4.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4524 5.8267 3.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2049 4.3891 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5688 4.2161 2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9960 7.2926 2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8211 8.2737 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0911 7.0847 0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3849 6.6265 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9510 6.8308 2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7892 6.7825 3.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7462 9.0709 3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4823 9.1661 3.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9033 9.1970 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 19 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 7 22 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 23 1 0 0 0 0
- 8 24 1 0 0 0 0
- 9 25 1 0 0 0 0
- 9 26 1 0 0 0 0
- 9 27 1 0 0 0 0
-M END
-> <Boiling Point>
-394.2
-
-$$$$
-
- CDK 0203121541
-
- 27 26 0 0 0 0 0 0 0 0999 V2000
- 2.2864 2.2864 2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8257 2.2864 2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3158 3.7387 2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7016 3.8897 1.6803 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1749 5.3334 1.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5428 5.4892 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3525 1.5003 3.4927 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7295 0.9207 3.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8431 1.0155 1.8662 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8926 2.5250 3.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8976 3.0568 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1793 1.7845 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6036 4.3734 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3079 4.1436 3.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4229 3.2324 2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6997 3.5297 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4454 5.9881 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1961 5.6862 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8847 6.5311 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2951 4.8752 1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5423 5.1881 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3637 2.1482 4.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6548 0.6725 3.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0926 0.3863 4.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7341 0.2114 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4659 1.7067 3.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9043 1.0058 1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 13 1 0 0 0 0
- 3 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 15 1 0 0 0 0
- 4 16 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 17 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 19 1 0 0 0 0
- 6 20 1 0 0 0 0
- 6 21 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
- 8 25 1 0 0 0 0
- 8 26 1 0 0 0 0
- 9 27 1 0 0 0 0
-M END
-> <Boiling Point>
-457.8
-
-$$$$
-
- CDK 0203121541
-
- 27 26 0 0 0 0 0 0 0 0999 V2000
- 1.4229 1.4229 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9494 1.4229 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4827 2.8460 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0030 2.8628 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5393 4.2847 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0593 4.3019 1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5984 5.7233 1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1094 5.7434 1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9972 0.0792 1.4138 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0285 1.9440 2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0282 1.9558 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3335 0.8697 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3305 0.8743 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1079 3.3915 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0908 3.4007 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3793 2.3108 2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3922 2.3143 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1727 4.8308 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1405 4.8391 2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4283 3.7499 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4591 3.7527 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2382 6.2692 0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1837 6.2756 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4945 6.7711 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4935 5.2437 2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5476 5.2318 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 0.0954 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 20 1 0 0 0 0
- 6 21 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
- 8 25 1 0 0 0 0
- 8 26 1 0 0 0 0
- 9 27 1 0 0 0 0
-M END
-> <Boiling Point>
-468.3
-
-$$$$
-
- CDK 0203121541
-
- 27 26 0 0 0 0 0 0 0 0999 V2000
- 1.0935 1.0935 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6181 1.0935 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1573 2.5339 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6755 2.5610 1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2149 3.9728 1.1673 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7329 3.9942 1.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2744 5.4065 1.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7844 5.4309 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0350 0.3596 2.2322 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6918 0.0724 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6843 1.6322 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7069 1.5755 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9947 0.5547 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7221 3.0854 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8106 3.0675 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0995 1.8987 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0142 2.1304 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7892 4.6253 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8725 4.4087 2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1589 3.3396 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0732 3.5619 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8477 6.0608 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9356 5.8376 2.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1722 6.4510 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2385 4.8159 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1494 5.0479 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9478 0.5903 2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 9 1 0 0 0 0
- 2 13 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 16 1 0 0 0 0
- 4 17 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 18 1 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 20 1 0 0 0 0
- 6 21 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
- 8 25 1 0 0 0 0
- 8 26 1 0 0 0 0
- 9 27 1 0 0 0 0
-M END
-> <Boiling Point>
-453
-
-$$$$
-
- CDK 0203121541
-
- 27 26 0 0 0 0 0 0 0 0999 V2000
- 1.0722 1.0722 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5844 1.0722 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1404 2.4871 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6610 2.4860 1.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2153 3.9011 1.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7357 3.8962 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2879 5.3136 1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8040 5.3027 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4057 7.0251 1.1921 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6733 0.0500 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6672 1.5820 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5834 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9636 0.5166 1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9601 0.5216 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7724 3.0374 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7536 3.0469 1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0291 1.9310 1.9736 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0441 1.9318 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8570 4.4515 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8236 4.4614 1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0940 3.3388 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1285 3.3426 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9356 5.8631 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8877 5.8714 2.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1600 4.7533 2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2064 4.7570 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.6924 6.7967 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 13 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 17 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 19 1 0 0 0 0
- 5 20 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 21 1 0 0 0 0
- 6 22 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 23 1 0 0 0 0
- 7 24 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 25 1 0 0 0 0
- 8 26 1 0 0 0 0
- 9 27 1 0 0 0 0
-M END
-> <Boiling Point>
-472.2
-
-$$$$
-
- CDK 0203121541
-
- 21 21 0 0 0 0 0 0 0 0999 V2000
- 5.7711 5.7711 5.7711 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1684 5.7711 5.7711 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8617 6.9767 5.7711 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1704 8.1837 5.7709 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7796 8.1864 5.7706 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0787 6.9860 5.7707 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9815 4.5102 5.7715 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7678 4.4083 5.7745 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7325 3.3710 5.7682 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0568 2.1115 5.7677 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1379 1.0476 5.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7298 4.8295 5.7716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9568 6.9736 5.7714 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7209 9.1304 5.7714 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2327 9.1352 5.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9813 6.9925 5.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4142 2.0319 6.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4056 2.0366 4.8766 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6808 0.0500 5.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7785 1.1161 4.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7921 1.1155 6.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 15 1 0 0 0 0
- 6 16 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 17 1 0 0 0 0
- 10 18 1 0 0 0 0
- 11 19 1 0 0 0 0
- 11 20 1 0 0 0 0
- 11 21 1 0 0 0 0
-M END
-> <Boiling Point>
-486.6
-
-$$$$
-
- CDK 0203121541
-
- 22 22 0 0 0 0 0 0 0 0999 V2000
- 4.9265 4.9265 4.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3156 4.9265 4.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0060 6.1351 4.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3083 7.3350 4.9194 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9093 7.3394 4.9246 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2217 6.1272 4.9292 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2307 8.6785 4.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8219 8.5166 4.9113 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1234 9.7534 4.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6425 9.4267 4.8917 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3801 3.9777 4.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8660 3.9804 4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1007 6.1406 4.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8547 8.2848 4.9119 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1260 6.1040 4.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5363 9.2519 5.8239 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5504 9.2594 4.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3884 10.3297 5.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4179 10.3663 4.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 10.3501 4.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3655 8.8660 3.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3363 8.8237 5.7566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 6 15 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 18 1 0 0 0 0
- 9 19 1 0 0 0 0
- 10 20 1 0 0 0 0
- 10 21 1 0 0 0 0
- 10 22 1 0 0 0 0
-M END
-> <Boiling Point>
-458.1
-
-$$$$
-
- CDK 0203121541
-
- 24 24 0 0 0 0 0 0 0 0999 V2000
- 2.2242 2.2242 2.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7575 2.2242 2.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3411 3.6198 2.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5871 4.6599 2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3747 4.4231 3.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7038 3.0940 3.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6226 5.4747 4.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7279 0.7911 2.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6979 2.7493 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3936 3.8739 1.6643 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1330 1.6382 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1335 1.7041 3.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0635 5.6445 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6083 3.2341 3.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8503 2.5699 4.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7200 5.7598 3.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3028 5.1084 5.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2166 6.3843 4.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0944 0.3590 3.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6309 0.7523 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0656 0.1385 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0667 2.1458 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6003 2.7273 0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0134 3.7871 0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 8 1 0 0 0 0
- 1 9 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 10 2 0 0 0 0
- 4 5 2 0 0 0 0
- 4 13 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 6 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 17 1 0 0 0 0
- 7 18 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 20 1 0 0 0 0
- 8 21 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 23 1 0 0 0 0
- 9 24 1 0 0 0 0
-M END
-> <Boiling Point>
-488.4
-
-$$$$
-
- CDK 0203121541
-
- 28 27 0 0 0 0 0 0 0 0999 V2000
- 3.3106 3.3106 3.3106 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8299 3.3106 3.3106 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3617 4.7340 3.3106 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3556 2.5275 4.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8456 2.2496 4.4181 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6033 2.5692 5.3143 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3061 1.5104 3.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6298 2.0227 2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2112 1.0046 1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4338 3.3580 1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9066 2.2901 3.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9074 3.7996 4.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9143 3.8466 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1944 2.7925 2.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.4608 4.7447 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9493 5.3116 2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1072 5.2653 4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1142 3.0688 5.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8358 1.5508 4.5855 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3923 0.4363 3.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5119 1.5829 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3517 2.1638 3.4516 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.1518 1.3673 1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4252 0.0500 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5239 0.7954 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3944 3.7927 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8174 3.2562 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9289 4.0870 2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 20 1 0 0 0 0
- 7 21 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 22 1 0 0 0 0
- 9 23 1 0 0 0 0
- 9 24 1 0 0 0 0
- 9 25 1 0 0 0 0
- 10 26 1 0 0 0 0
- 10 27 1 0 0 0 0
- 10 28 1 0 0 0 0
-M END
-> <Boiling Point>
-441.4
-
-$$$$
-
- CDK 0203121541
-
- 28 27 0 0 0 0 0 0 0 0999 V2000
- 2.0299 2.0299 2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5418 2.0299 2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0989 3.4445 2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6184 3.4423 2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1738 4.8573 2.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6935 4.8538 2.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2451 6.2703 2.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.7606 6.2597 2.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.3708 6.4477 3.1033 O 0 0 0 0 0 0 0 0 0 0 0 0
- 10.4603 6.0131 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6322 1.0069 2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6242 2.5390 2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6247 2.5402 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9211 1.4738 2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9189 1.4781 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7283 3.9955 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7117 4.0027 2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9876 2.8981 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0053 2.8768 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8142 5.3976 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7775 5.4274 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0535 4.3372 2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0864 4.2649 1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9127 6.7839 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8316 6.8633 2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5509 5.9520 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.1113 5.0733 0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.2347 6.8206 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 20 1 0 0 0 0
- 5 21 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 22 1 0 0 0 0
- 6 23 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 24 1 0 0 0 0
- 7 25 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 10 1 0 0 0 0
- 10 26 1 0 0 0 0
- 10 27 1 0 0 0 0
- 10 28 1 0 0 0 0
-M END
-> <Boiling Point>
-467.5
-
-$$$$
-
- CDK 0203121541
-
- 28 27 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5846 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1376 2.4893 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6562 2.4824 1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2869 3.8605 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8027 3.8354 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4506 5.2081 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9673 5.0993 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6181 6.4635 1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6395 4.8886 1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5826 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5833 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9641 0.5154 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9579 0.5222 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7705 3.0399 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7537 3.0466 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0259 1.9314 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0390 1.9237 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1321 3.2698 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1467 3.2433 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1286 5.7704 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0969 5.8049 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2896 4.5440 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3197 4.4955 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7122 6.3835 1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3497 7.0224 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3137 7.0739 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 2 0 0 0 0
- 6 7 1 0 0 0 0
- 6 20 1 0 0 0 0
- 6 21 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 22 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 24 1 0 0 0 0
- 8 25 1 0 0 0 0
- 9 26 1 0 0 0 0
- 9 27 1 0 0 0 0
- 9 28 1 0 0 0 0
-M END
-> <Boiling Point>
-461.6
-
-$$$$
-
- CDK 0203121541
-
- 29 28 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5846 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1409 2.4874 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6610 2.4835 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2158 3.8990 1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7345 3.8920 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2716 5.3200 1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6880 5.2269 1.2653 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4215 6.3781 1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.5947 6.0856 1.3719 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8302 7.7522 1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6741 0.0500 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6668 1.5820 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5828 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9632 0.5177 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9615 0.5201 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7871 3.0322 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7431 3.0503 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0178 1.9432 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0581 1.9169 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8816 4.4308 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7995 4.4742 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0719 3.3648 2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1536 3.3137 0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0031 5.8396 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8677 5.9136 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6156 8.5189 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2865 7.8752 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1312 7.9507 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 15 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 17 1 0 0 0 0
- 3 18 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 19 1 0 0 0 0
- 4 20 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 21 1 0 0 0 0
- 5 22 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 23 1 0 0 0 0
- 6 24 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 25 1 0 0 0 0
- 7 26 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 2 0 0 0 0
- 9 11 1 0 0 0 0
- 11 27 1 0 0 0 0
- 11 28 1 0 0 0 0
- 11 29 1 0 0 0 0
-M END
-> <Boiling Point>
-465.6
-
-$$$$
-
- CDK 0203121541
-
- 29 28 0 0 0 0 0 0 0 0999 V2000
- 1.0724 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1395 2.4879 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6597 2.4887 1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2107 3.9051 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7308 3.9059 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2776 5.3253 1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7964 5.3173 1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4353 6.6806 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.6267 6.9402 1.2278 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6198 7.7601 1.1724 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6739 0.0500 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6672 1.5820 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6679 1.5832 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9640 0.5176 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9611 0.5215 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7706 3.0370 0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7510 3.0471 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0295 1.9337 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0445 1.9349 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8504 4.4544 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8164 4.4643 1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0923 3.3494 2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1249 3.3528 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9219 5.8723 0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8706 5.8794 2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1514 4.7617 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2003 4.7647 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1456 8.5543 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 15 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 17 1 0 0 0 0
- 3 18 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 19 1 0 0 0 0
- 4 20 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 21 1 0 0 0 0
- 5 22 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 23 1 0 0 0 0
- 6 24 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 25 1 0 0 0 0
- 7 26 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 27 1 0 0 0 0
- 8 28 1 0 0 0 0
- 9 10 2 0 0 0 0
- 9 11 1 0 0 0 0
- 11 29 1 0 0 0 0
-M END
-> <Boiling Point>
-528.8
-
-$$$$
-
- CDK 0203121541
-
- 29 28 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5844 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1412 2.4872 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6613 2.4833 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2170 3.8981 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7371 3.8919 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2923 5.3068 1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8164 5.2781 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2629 6.6321 1.1768 O 0 0 0 0 0 0 0 0 0 0 0 0
- 10.6103 6.8210 1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8635 8.0007 1.2145 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6672 1.5823 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5825 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9638 0.5166 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9600 0.5215 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7734 3.0372 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7550 3.0467 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0306 1.9274 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0438 1.9291 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8591 4.4489 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8257 4.4586 1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0974 3.3352 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1273 3.3366 0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9436 5.8609 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8938 5.8681 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1837 4.7578 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2335 4.7452 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.3181 5.9800 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 15 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 17 1 0 0 0 0
- 3 18 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 19 1 0 0 0 0
- 4 20 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 21 1 0 0 0 0
- 5 22 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 23 1 0 0 0 0
- 6 24 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 25 1 0 0 0 0
- 7 26 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 27 1 0 0 0 0
- 8 28 1 0 0 0 0
- 9 10 1 0 0 0 0
- 10 11 2 0 0 0 0
- 10 29 1 0 0 0 0
-M END
-> <Boiling Point>
-472
-
-$$$$
-
- CDK 0203121541
-
- 30 29 0 0 0 0 0 0 0 0999 V2000
- 2.5092 2.5092 2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0265 2.5092 2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5698 3.9296 2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5712 1.7301 3.7063 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0821 1.4821 3.5567 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6823 0.9383 4.8594 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6732 2.0164 5.9453 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0524 1.4225 7.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6102 3.1565 5.5801 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3733 0.5505 2.5309 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1068 1.4894 2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1065 2.9720 3.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1130 3.0703 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3873 1.9900 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6652 3.9185 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3478 4.4474 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1435 4.5274 3.3256 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4047 2.2913 4.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0304 0.7701 3.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5812 2.4681 3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1137 0.0500 5.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7176 0.5829 4.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6252 2.4209 6.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0508 2.1885 8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3508 0.6347 7.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0564 0.9777 7.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5066 4.0006 6.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.6615 2.8402 5.5973 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3910 3.5212 4.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8199 0.7994 1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 14 1 0 0 0 0
- 3 15 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 20 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 21 1 0 0 0 0
- 6 22 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 23 1 0 0 0 0
- 8 24 1 0 0 0 0
- 8 25 1 0 0 0 0
- 8 26 1 0 0 0 0
- 9 27 1 0 0 0 0
- 9 28 1 0 0 0 0
- 9 29 1 0 0 0 0
- 10 30 1 0 0 0 0
-M END
-> <Boiling Point>
-451
-
-$$$$
-
- CDK 0203121541
-
- 30 29 0 0 0 0 0 0 0 0999 V2000
- 1.0724 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5843 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1414 2.4870 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6611 2.4835 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2173 3.8982 1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7358 3.8947 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2938 5.3083 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8097 5.3033 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3559 6.7283 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7533 6.6534 1.3588 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6740 0.0500 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6667 1.5826 1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6677 1.5821 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9625 0.5177 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9615 0.5197 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7873 3.0313 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7416 3.0508 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0156 1.9479 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0596 1.9100 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8856 4.4239 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7979 4.4805 1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0678 3.3770 2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1550 3.3039 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9848 5.8144 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8540 5.9082 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1227 4.8071 2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2482 4.6947 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1099 7.2076 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9087 7.3537 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.0769 7.5420 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 20 1 0 0 0 0
- 5 21 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 22 1 0 0 0 0
- 6 23 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 24 1 0 0 0 0
- 7 25 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 26 1 0 0 0 0
- 8 27 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 28 1 0 0 0 0
- 9 29 1 0 0 0 0
- 10 30 1 0 0 0 0
-M END
-> <Boiling Point>
-486.3
-
-$$$$
-
- CDK 0203121541
-
- 30 29 0 0 0 0 0 0 0 0999 V2000
- 1.4360 1.4360 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9481 1.4360 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5056 2.8504 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0256 2.8472 1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5817 4.2621 1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1021 4.2556 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6557 5.6717 1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1875 5.6929 1.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6825 7.1053 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6930 5.2293 2.5745 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0372 0.4137 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0316 1.9490 2.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0311 1.9439 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3266 0.8824 2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3264 0.8822 0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1199 3.4079 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1357 3.4022 2.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4113 2.2838 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3945 2.3007 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1952 4.8264 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2148 4.8069 2.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4872 3.6904 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4680 3.7123 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2407 6.2447 0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3245 6.2046 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5250 4.9937 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7789 7.1512 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2994 7.4479 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3557 7.8288 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.6371 5.2920 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 20 1 0 0 0 0
- 5 21 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 22 1 0 0 0 0
- 6 23 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 24 1 0 0 0 0
- 7 25 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 26 1 0 0 0 0
- 9 27 1 0 0 0 0
- 9 28 1 0 0 0 0
- 9 29 1 0 0 0 0
- 10 30 1 0 0 0 0
-M END
-> <Boiling Point>
-471.7
-
-$$$$
-
- CDK 0203121541
-
- 30 29 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5844 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1410 2.4871 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6607 2.4838 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2162 3.8985 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7346 3.8954 1.1674 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2910 5.3094 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8084 5.3036 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3599 6.7150 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.1738 6.6453 1.3819 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6740 0.0500 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6666 1.5824 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5820 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9629 0.5173 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9618 0.5198 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7874 3.0313 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7412 3.0510 1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0150 1.9499 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0596 1.9090 0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8851 4.4222 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7965 4.4829 1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0666 3.3819 2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1539 3.3014 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9817 5.8125 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8519 5.9121 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1168 4.8100 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2466 4.6919 0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0892 7.1986 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9079 7.3364 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.4404 7.9209 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 14 1 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 4 19 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 20 1 0 0 0 0
- 5 21 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 22 1 0 0 0 0
- 6 23 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 24 1 0 0 0 0
- 7 25 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 26 1 0 0 0 0
- 8 27 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 28 1 0 0 0 0
- 9 29 1 0 0 0 0
- 10 30 1 0 0 0 0
-M END
-> <Boiling Point>
-493
-
-$$$$
-
- CDK 0203121541
-
- 24 24 0 0 0 0 0 0 0 0999 V2000
- 4.6936 4.6936 4.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0837 4.6936 4.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7803 5.8973 4.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0873 7.1022 4.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6912 7.1106 4.6963 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9906 5.9004 4.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4999 5.8270 4.6723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8081 5.3044 3.8234 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9139 6.3901 5.7726 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5042 6.3967 5.8547 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9905 8.4276 4.6664 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2835 8.8700 3.7846 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2352 9.1811 5.7813 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6297 10.4525 5.8808 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1460 3.7437 4.6834 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6288 3.7435 4.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8756 5.8980 4.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.6392 8.0494 4.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3292 6.9142 6.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 6.9489 5.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0957 5.3813 5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9908 10.8073 6.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9576 11.1235 5.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5367 10.3837 5.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 15 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 11 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 10 19 1 0 0 0 0
- 10 20 1 0 0 0 0
- 10 21 1 0 0 0 0
- 11 12 2 0 0 0 0
- 11 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- 14 22 1 0 0 0 0
- 14 23 1 0 0 0 0
- 14 24 1 0 0 0 0
-M END
-> <Boiling Point>
-556.8
-
-$$$$
-
- CDK 0203121541
-
- 23 23 0 0 0 0 0 0 0 0999 V2000
- 1.0678 1.0678 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5464 1.0678 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2716 2.1928 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7303 2.1955 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4212 3.4143 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8063 3.4394 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5190 2.2290 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8427 1.0052 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4539 1.0010 1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8908 2.3858 1.0212 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6761 1.2201 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6615 0.0644 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6607 1.7305 1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6768 1.4163 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0584 0.0922 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7819 3.1752 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8627 4.3574 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3416 4.3959 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.3829 0.0519 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8987 0.0500 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.6922 1.6241 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5238 0.5960 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5061 0.6228 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 15 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 16 1 0 0 0 0
- 4 5 2 0 0 0 0
- 4 9 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 18 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 10 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 19 1 0 0 0 0
- 9 20 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 21 1 0 0 0 0
- 11 22 1 0 0 0 0
- 11 23 1 0 0 0 0
-M END
-> <Boiling Point>
-508.5
-
-$$$$
-
- CDK 0203121541
-
- 25 25 0 0 0 0 0 0 0 0999 V2000
- 2.2129 2.2129 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6150 2.2129 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2897 3.4229 2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5986 4.6427 2.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2045 4.6205 2.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5049 3.4186 2.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3926 5.9351 2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5075 7.1827 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2768 5.9759 3.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2702 5.9844 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6067 0.9860 2.2148 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1682 1.2670 2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3875 3.4199 2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6289 5.5539 2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4089 3.4283 2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1210 8.0945 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8622 7.2301 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8635 7.2219 3.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8774 6.8949 3.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6718 5.9428 4.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9736 5.1273 3.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8697 6.9042 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.9680 5.1370 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6605 5.9561 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6680 1.1264 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 12 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 7 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 14 1 0 0 0 0
- 6 15 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 8 16 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 19 1 0 0 0 0
- 9 20 1 0 0 0 0
- 9 21 1 0 0 0 0
- 10 22 1 0 0 0 0
- 10 23 1 0 0 0 0
- 10 24 1 0 0 0 0
- 11 25 1 0 0 0 0
-M END
-> <Boiling Point>
-512.9
-
-$$$$
-
- CDK 0203121541
-
- 32 31 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5846 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1415 2.4870 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6615 2.4824 1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2183 3.8968 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7371 3.8907 1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2957 5.3043 1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8133 5.2948 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3629 6.7114 1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8593 6.8110 1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5379 7.8250 1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5597 5.6608 1.4707 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6738 0.0500 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6666 1.5826 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5821 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9629 0.5171 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9617 0.5198 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7882 3.0318 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7431 3.0506 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0169 1.9432 2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0587 1.9128 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8859 4.4263 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8020 4.4764 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0712 3.3675 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1530 3.3052 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9839 5.8179 0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8609 5.8987 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1227 4.7876 2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2459 4.6929 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0704 7.2091 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9111 7.3175 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.4880 5.8628 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 16 1 0 0 0 0
- 2 17 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 18 1 0 0 0 0
- 3 19 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 20 1 0 0 0 0
- 4 21 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 22 1 0 0 0 0
- 5 23 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 24 1 0 0 0 0
- 6 25 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 26 1 0 0 0 0
- 7 27 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 28 1 0 0 0 0
- 8 29 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 30 1 0 0 0 0
- 9 31 1 0 0 0 0
- 10 11 2 0 0 0 0
- 10 12 1 0 0 0 0
- 12 32 1 0 0 0 0
-M END
-> <Boiling Point>
-543.2
-
-$$$$
-
- CDK 0203121541
-
- 32 31 0 0 0 0 0 0 0 0999 V2000
- 3.2439 3.2439 3.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7627 3.2439 3.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2978 4.6672 3.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2946 2.4685 4.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8055 2.2796 4.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2524 1.7603 5.5848 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5598 1.3855 5.7202 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.7097 0.9625 6.8475 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.5728 1.4856 4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.0186 1.3308 5.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.9124 0.9975 3.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5045 2.5988 5.7615 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8412 2.2242 3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8393 3.7079 4.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8484 3.8029 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1106 2.7298 2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.3949 4.6645 3.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0545 5.1913 2.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8837 5.2558 4.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0338 3.0047 5.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7913 1.4838 4.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0656 1.5872 3.5152 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2967 3.2565 4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3299 0.6972 3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4538 2.4528 4.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.0705 0.4882 5.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.9604 0.9011 4.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.6222 0.0500 3.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.8712 1.7779 3.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.5318 2.4791 6.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5002 3.4581 5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8739 2.8562 6.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 17 1 0 0 0 0
- 3 18 1 0 0 0 0
- 3 19 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 20 1 0 0 0 0
- 4 21 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 22 1 0 0 0 0
- 5 23 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 24 1 0 0 0 0
- 9 25 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 26 1 0 0 0 0
- 11 27 1 0 0 0 0
- 11 28 1 0 0 0 0
- 11 29 1 0 0 0 0
- 12 30 1 0 0 0 0
- 12 31 1 0 0 0 0
- 12 32 1 0 0 0 0
-M END
-> <Boiling Point>
-467.2
-
-$$$$
-
- CDK 0203121541
-
- 32 31 0 0 0 0 0 0 0 0999 V2000
- 1.0726 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5847 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1413 2.4876 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6613 2.4845 1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2182 3.8990 1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7382 3.8912 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2935 5.3062 1.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8185 5.2772 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2570 6.6308 1.1831 O 0 0 0 0 0 0 0 0 0 0 0 0
- 10.5984 6.8840 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7637 8.0859 1.2112 O 0 0 0 0 0 0 0 0 0 0 0 0
- 11.6548 5.8181 1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6673 1.5824 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5828 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9638 0.5175 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9608 0.5212 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7730 3.0372 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7545 3.0464 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0321 1.9276 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0439 1.9317 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8597 4.4509 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8275 4.4584 1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0997 3.3319 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1263 3.3381 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9420 5.8618 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8980 5.8652 2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1898 4.7470 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2312 4.7529 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.6584 6.2616 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5524 5.1520 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5877 5.2055 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 16 1 0 0 0 0
- 2 17 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 18 1 0 0 0 0
- 3 19 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 20 1 0 0 0 0
- 4 21 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 22 1 0 0 0 0
- 5 23 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 24 1 0 0 0 0
- 6 25 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 26 1 0 0 0 0
- 7 27 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 28 1 0 0 0 0
- 8 29 1 0 0 0 0
- 9 10 1 0 0 0 0
- 10 11 2 0 0 0 0
- 10 12 1 0 0 0 0
- 12 30 1 0 0 0 0
- 12 31 1 0 0 0 0
- 12 32 1 0 0 0 0
-M END
-> <Boiling Point>
-484.5
-
-$$$$
-
- CDK 0203121541
-
- 33 32 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1414 2.4873 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6615 2.4842 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2175 3.8990 1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7374 3.8955 1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2931 5.3105 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8127 5.3066 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3669 6.7216 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8931 6.6998 1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.3394 8.0363 1.1832 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6741 0.0500 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6672 1.5826 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5825 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9635 0.5176 1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9607 0.5207 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7739 3.0372 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7535 3.0459 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0296 1.9313 1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0463 1.9271 0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8597 4.4476 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8220 4.4601 1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0960 3.3448 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1316 3.3363 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9406 5.8587 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8926 5.8726 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1661 4.7572 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2110 4.7446 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0154 7.2719 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9674 7.2846 2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2554 6.1948 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.3024 6.1391 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.2858 8.0043 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 15 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 17 1 0 0 0 0
- 3 18 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 19 1 0 0 0 0
- 4 20 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 21 1 0 0 0 0
- 5 22 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 23 1 0 0 0 0
- 6 24 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 25 1 0 0 0 0
- 7 26 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 27 1 0 0 0 0
- 8 28 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 29 1 0 0 0 0
- 9 30 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 31 1 0 0 0 0
- 10 32 1 0 0 0 0
- 11 33 1 0 0 0 0
-M END
-> <Boiling Point>
-504.1
-
-$$$$
-
- CDK 0203121541
-
- 33 32 0 0 0 0 0 0 0 0999 V2000
- 1.0726 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5847 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1409 2.4878 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6607 2.4863 1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2150 3.9015 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7350 3.8985 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2902 5.3134 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8097 5.3089 1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3615 6.7268 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8766 6.7168 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.4772 8.4403 1.2746 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6742 0.0500 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5825 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5828 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9639 0.5184 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9619 0.5208 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7725 3.0364 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7513 3.0473 1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0304 1.9303 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0455 1.9320 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8566 4.4511 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8210 4.4619 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0957 3.3420 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1277 3.3443 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9403 5.8635 0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8886 5.8735 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1616 4.7516 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2118 4.7546 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0174 7.2767 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9516 7.2835 2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2248 6.1685 2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2892 6.1722 0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.7631 8.2114 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 12 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 15 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 17 1 0 0 0 0
- 3 18 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 19 1 0 0 0 0
- 4 20 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 21 1 0 0 0 0
- 5 22 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 23 1 0 0 0 0
- 6 24 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 25 1 0 0 0 0
- 7 26 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 27 1 0 0 0 0
- 8 28 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 29 1 0 0 0 0
- 9 30 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 31 1 0 0 0 0
- 10 32 1 0 0 0 0
- 11 33 1 0 0 0 0
-M END
-> <Boiling Point>
-512.3
-
-$$$$
-
- CDK 0203121541
-
- 33 32 0 0 0 0 0 0 0 0999 V2000
- 1.8414 1.8414 1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1696 1.8414 1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9860 3.0802 1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0194 3.2661 1.2274 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4882 4.0662 2.6418 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1785 5.3161 2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3190 6.2716 3.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2092 7.4425 3.9693 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6430 8.2149 5.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5381 9.3846 5.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9698 10.1609 6.6925 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0948 6.7313 2.7381 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9128 7.0818 3.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2643 0.9213 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2378 2.7454 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7506 0.9112 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1728 5.1526 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3355 5.7147 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9775 5.7278 4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2131 7.0584 4.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3824 8.1272 3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6180 8.5784 4.9118 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5186 7.5388 6.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5533 9.0171 5.7754 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6692 10.0558 4.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6180 11.0039 6.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9774 10.5706 6.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8614 9.5298 7.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3633 7.5980 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7867 5.9328 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 7.3911 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5949 6.2292 4.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1480 7.9104 4.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 17 1 0 0 0 0
- 6 18 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 12 1 0 0 0 0
- 7 19 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 20 1 0 0 0 0
- 8 21 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 23 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 24 1 0 0 0 0
- 10 25 1 0 0 0 0
- 11 26 1 0 0 0 0
- 11 27 1 0 0 0 0
- 11 28 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 29 1 0 0 0 0
- 12 30 1 0 0 0 0
- 13 31 1 0 0 0 0
- 13 32 1 0 0 0 0
- 13 33 1 0 0 0 0
-M END
-> <Boiling Point>
-489.2
-
-$$$$
-
- CDK 0203121541
-
- 35 34 0 0 0 0 0 0 0 0999 V2000
- 1.0724 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1407 2.4874 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6608 2.4866 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2134 3.9024 1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7337 3.9022 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2858 5.3183 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8055 5.3164 1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3570 6.7338 1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8752 6.7191 1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5199 8.0798 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.7118 8.3349 1.3273 O 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7085 9.1623 1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6738 0.0500 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6672 1.5820 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6679 1.5833 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9639 0.5178 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9611 0.5213 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7725 3.0367 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7521 3.0471 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0300 1.9310 1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0448 1.9327 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8537 4.4521 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8201 4.4619 1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0954 3.3462 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1263 3.3496 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9340 5.8683 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8838 5.8772 2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1580 4.7588 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2069 4.7625 0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0118 7.2834 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9431 7.2891 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2183 6.1596 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2856 6.1687 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2369 9.9545 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 1 16 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 17 1 0 0 0 0
- 2 18 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 19 1 0 0 0 0
- 3 20 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 21 1 0 0 0 0
- 4 22 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 23 1 0 0 0 0
- 5 24 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 25 1 0 0 0 0
- 6 26 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 27 1 0 0 0 0
- 7 28 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 29 1 0 0 0 0
- 8 30 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 31 1 0 0 0 0
- 9 32 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 33 1 0 0 0 0
- 10 34 1 0 0 0 0
- 11 12 2 0 0 0 0
- 11 13 1 0 0 0 0
- 13 35 1 0 0 0 0
-M END
-> <Boiling Point>
-557.4
-
-$$$$
-
- CDK 0203121541
-
- 35 34 0 0 0 0 0 0 0 0999 V2000
- 1.0726 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5846 1.0726 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1421 2.4871 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6619 2.4835 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2192 3.8977 1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7378 3.8926 1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2972 5.3058 1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8150 5.2969 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3633 6.7133 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8665 6.8278 1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5048 7.8637 1.2981 O 0 0 0 0 0 0 0 0 0 0 0 0
- 11.5437 5.6475 1.4278 O 0 0 0 0 0 0 0 0 0 0 0 0
- 12.9509 5.6809 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6744 0.0500 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6669 1.5829 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6678 1.5825 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9628 0.5179 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9618 0.5199 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7866 3.0323 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7434 3.0508 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0168 1.9454 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0594 1.9112 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8859 4.4259 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8016 4.4787 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0717 3.3716 2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1538 3.3036 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9851 5.8162 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8614 5.9035 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1248 4.7909 2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2437 4.6932 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0577 7.2105 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9194 7.3181 2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.2027 4.6204 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.4183 6.1169 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.2795 6.2223 2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 1 16 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 17 1 0 0 0 0
- 2 18 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 19 1 0 0 0 0
- 3 20 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 21 1 0 0 0 0
- 4 22 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 23 1 0 0 0 0
- 5 24 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 25 1 0 0 0 0
- 6 26 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 27 1 0 0 0 0
- 7 28 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 29 1 0 0 0 0
- 8 30 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 31 1 0 0 0 0
- 9 32 1 0 0 0 0
- 10 11 2 0 0 0 0
- 10 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 13 33 1 0 0 0 0
- 13 34 1 0 0 0 0
- 13 35 1 0 0 0 0
-M END
-> <Boiling Point>
-505
-
-$$$$
-
- CDK 0203121541
-
- 36 35 0 0 0 0 0 0 0 0999 V2000
- 1.0724 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0724 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1416 2.4871 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6615 2.4839 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2178 3.8986 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7362 3.8957 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2940 5.3095 1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8101 5.3075 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3701 6.7198 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8826 6.7175 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.4316 8.1402 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.8241 8.0705 1.4777 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6737 0.0500 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6669 1.5820 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5831 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9625 0.5178 1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9618 0.5197 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7874 3.0312 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7414 3.0509 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0152 1.9490 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0604 1.9093 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8868 4.4231 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7972 4.4820 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0669 3.3805 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1561 3.3023 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9861 5.8140 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8531 5.9110 1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1176 4.8119 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2502 4.6964 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0855 7.2031 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9093 7.3394 1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.1699 6.2455 2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.3421 6.0880 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2115 8.5942 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.9634 8.7861 2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.1508 8.9566 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 13 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 16 1 0 0 0 0
- 2 17 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 18 1 0 0 0 0
- 3 19 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 20 1 0 0 0 0
- 4 21 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 22 1 0 0 0 0
- 5 23 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 24 1 0 0 0 0
- 6 25 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 26 1 0 0 0 0
- 7 27 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 28 1 0 0 0 0
- 8 29 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 30 1 0 0 0 0
- 9 31 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 32 1 0 0 0 0
- 10 33 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 34 1 0 0 0 0
- 11 35 1 0 0 0 0
- 12 36 1 0 0 0 0
-M END
-> <Boiling Point>
-518.2
-
-$$$$
-
- CDK 0203121541
-
- 30 30 0 0 0 0 0 0 0 0999 V2000
- 5.6911 5.6911 5.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0813 5.6911 5.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.7774 6.8950 5.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0863 8.1012 5.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6907 8.1067 5.6826 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9874 6.8975 5.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4960 6.8262 5.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8112 6.1811 4.8944 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9068 7.5514 6.6547 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4798 7.6401 6.6803 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1383 8.6714 7.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9872 9.4239 5.6476 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3540 9.8952 4.7245 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1370 10.1260 6.8059 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4285 11.3600 6.9449 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7782 11.9028 8.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1432 4.7410 5.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6265 4.7411 5.6917 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8728 6.8948 5.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.6371 9.0488 5.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0949 7.9371 5.6861 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0613 6.6459 6.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 8.7973 7.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4960 8.3778 8.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5746 9.6546 7.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7269 12.0593 6.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3415 11.1714 6.8464 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2568 12.8533 8.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4840 11.2143 9.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8546 12.0903 8.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 17 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 18 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 19 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 20 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 12 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 21 1 0 0 0 0
- 10 22 1 0 0 0 0
- 11 23 1 0 0 0 0
- 11 24 1 0 0 0 0
- 11 25 1 0 0 0 0
- 12 13 2 0 0 0 0
- 12 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 26 1 0 0 0 0
- 15 27 1 0 0 0 0
- 16 28 1 0 0 0 0
- 16 29 1 0 0 0 0
- 16 30 1 0 0 0 0
-M END
-> <Boiling Point>
-567.2
-
-$$$$
-
- CDK 0203121541
-
- 38 37 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5844 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1418 2.4872 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6616 2.4830 1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2184 3.8976 1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7385 3.8908 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2969 5.3047 1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8167 5.2967 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3732 6.7111 1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8978 6.6805 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.3384 8.0334 1.2496 O 0 0 0 0 0 0 0 0 0 0 0 0
- 12.6800 8.2847 1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.8470 9.4861 1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0
- 13.7347 7.2178 1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6741 0.0500 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6668 1.5818 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5831 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9631 0.5175 1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9608 0.5208 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7733 3.0370 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7548 3.0462 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0319 1.9250 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0435 1.9299 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8584 4.4495 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8283 4.4566 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1012 3.3311 2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1261 3.3386 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9444 5.8584 0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9011 5.8630 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1720 4.7360 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2109 4.7440 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0284 7.2685 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9718 7.2694 2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2631 6.1494 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.3161 6.1568 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
- 14.7387 7.6606 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.6400 6.5395 2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.6600 6.6191 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 15 1 0 0 0 0
- 1 16 1 0 0 0 0
- 1 17 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 18 1 0 0 0 0
- 2 19 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 20 1 0 0 0 0
- 3 21 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 22 1 0 0 0 0
- 4 23 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 24 1 0 0 0 0
- 5 25 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 26 1 0 0 0 0
- 6 27 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 28 1 0 0 0 0
- 7 29 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 30 1 0 0 0 0
- 8 31 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 32 1 0 0 0 0
- 9 33 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 34 1 0 0 0 0
- 10 35 1 0 0 0 0
- 11 12 1 0 0 0 0
- 12 13 2 0 0 0 0
- 12 14 1 0 0 0 0
- 14 36 1 0 0 0 0
- 14 37 1 0 0 0 0
- 14 38 1 0 0 0 0
-M END
-> <Boiling Point>
-517.2
-
-$$$$
-
- CDK 0203121541
-
- 38 37 0 0 0 0 0 0 0 0999 V2000
- 1.0723 1.0723 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5843 1.0723 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1413 2.4870 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6613 2.4836 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2172 3.8985 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7359 3.8942 1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2936 5.3083 1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8102 5.3033 1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3700 6.7162 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8847 6.7081 1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.4359 8.1235 1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.9300 8.2244 1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.6093 9.2378 1.4722 O 0 0 0 0 0 0 0 0 0 0 0 0
- 13.6265 7.0761 1.6384 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6735 0.0500 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6667 1.5817 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6674 1.5826 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9626 0.5171 1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9614 0.5198 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7873 3.0321 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7433 3.0503 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0166 1.9440 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0594 1.9150 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8844 4.4290 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8001 4.4766 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0699 3.3694 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1529 3.3108 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9822 5.8236 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8578 5.9008 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1221 4.7938 2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2459 4.7049 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0801 7.2156 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9156 7.3229 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.1727 6.2153 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.3356 6.0935 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.1639 8.6064 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.9685 8.7448 2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
- 14.5531 7.2789 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 15 1 0 0 0 0
- 1 16 1 0 0 0 0
- 1 17 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 18 1 0 0 0 0
- 2 19 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 20 1 0 0 0 0
- 3 21 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 22 1 0 0 0 0
- 4 23 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 24 1 0 0 0 0
- 5 25 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 26 1 0 0 0 0
- 6 27 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 28 1 0 0 0 0
- 7 29 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 30 1 0 0 0 0
- 8 31 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 32 1 0 0 0 0
- 9 33 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 34 1 0 0 0 0
- 10 35 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 36 1 0 0 0 0
- 11 37 1 0 0 0 0
- 12 13 2 0 0 0 0
- 12 14 1 0 0 0 0
- 14 38 1 0 0 0 0
-M END
-> <Boiling Point>
-571.9
-
-$$$$
-
- CDK 0203121541
-
- 39 38 0 0 0 0 0 0 0 0999 V2000
- 1.0725 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5846 1.0725 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1391 2.4881 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6595 2.4868 1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2113 3.9031 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7370 3.8786 1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1746 5.2285 1.1157 O 0 0 0 0 0 0 0 0 0 0 0 0
- 8.5882 5.3551 1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9020 6.8485 1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.4042 7.0750 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7380 8.5577 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.2390 8.7895 1.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.5726 10.2640 1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6740 0.0500 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6675 1.5830 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6677 1.5827 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9642 0.5168 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9596 0.5218 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7710 3.0375 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7530 3.0464 1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0299 1.9314 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0425 1.9341 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8529 4.4548 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8190 4.4616 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1123 3.3545 2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1438 3.3409 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9958 4.8705 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0359 4.8413 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4764 7.3197 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4105 7.3555 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8278 6.6064 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8940 6.5633 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.3260 9.0233 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 10.2368 9.0732 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.6497 8.3283 2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.7395 8.2705 0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.6562 10.4289 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.2135 10.7404 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.1161 10.8008 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 14 1 0 0 0 0
- 1 15 1 0 0 0 0
- 1 16 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 17 1 0 0 0 0
- 2 18 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 19 1 0 0 0 0
- 3 20 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 21 1 0 0 0 0
- 4 22 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 23 1 0 0 0 0
- 5 24 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 25 1 0 0 0 0
- 6 26 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 27 1 0 0 0 0
- 8 28 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 29 1 0 0 0 0
- 9 30 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 31 1 0 0 0 0
- 10 32 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 33 1 0 0 0 0
- 11 34 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 35 1 0 0 0 0
- 12 36 1 0 0 0 0
- 13 37 1 0 0 0 0
- 13 38 1 0 0 0 0
- 13 39 1 0 0 0 0
-M END
-> <Boiling Point>
-498.9
-
-$$$$
-
- CDK 0203121541
-
- 41 40 0 0 0 0 0 0 0 0999 V2000
- 1.0723 1.0723 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5845 1.0723 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1407 2.4875 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6609 2.4870 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.2148 3.9026 1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7352 3.9011 1.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2900 5.3163 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.8100 5.3134 1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3646 6.7287 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8836 6.7259 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.4337 8.1439 1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.9513 8.1318 1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.5942 9.4934 1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
- 14.7852 9.7512 1.4091 O 0 0 0 0 0 0 0 0 0 0 0 0
- 12.7808 10.5739 1.3151 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6735 0.0500 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6669 1.5818 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6676 1.5831 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9637 0.5178 1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9611 0.5210 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7724 3.0365 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7521 3.0467 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0309 1.9308 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0450 1.9343 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8553 4.4526 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8220 4.4619 1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.0973 3.3442 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.1266 3.3492 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.9388 5.8673 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.8899 5.8751 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.1640 4.7551 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2093 4.7611 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0202 7.2804 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9546 7.2854 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2275 6.1738 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.2936 6.1651 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.0951 8.6869 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
- 11.0116 8.7051 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.2860 7.5824 2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.3713 7.5734 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.3072 11.3675 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 16 1 0 0 0 0
- 1 17 1 0 0 0 0
- 1 18 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 19 1 0 0 0 0
- 2 20 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 21 1 0 0 0 0
- 3 22 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 23 1 0 0 0 0
- 4 24 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 25 1 0 0 0 0
- 5 26 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 27 1 0 0 0 0
- 6 28 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 29 1 0 0 0 0
- 7 30 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 31 1 0 0 0 0
- 8 32 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 33 1 0 0 0 0
- 9 34 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 35 1 0 0 0 0
- 10 36 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 37 1 0 0 0 0
- 11 38 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 39 1 0 0 0 0
- 12 40 1 0 0 0 0
- 13 14 2 0 0 0 0
- 13 15 1 0 0 0 0
- 15 41 1 0 0 0 0
-M END
-> <Boiling Point>
-585.3
-
-$$$$
-
- CDK 0203121541
-
- 24 26 0 0 0 0 0 0 0 0999 V2000
- 6.1582 6.1582 6.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5493 6.1582 6.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.2432 7.3607 6.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.5458 8.5648 6.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1496 8.5756 6.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4493 7.3611 6.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9600 7.3296 6.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2399 8.6335 6.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9395 9.8482 6.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4288 9.8795 6.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8437 8.6444 6.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1453 9.8473 6.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8385 11.0505 6.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2296 11.0508 6.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3511 6.2724 6.1466 O 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0377 10.9368 6.1452 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6165 5.2033 6.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0941 5.2079 6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.3386 7.3651 6.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1005 9.5123 6.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2895 7.6967 6.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 9.8420 6.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2927 12.0002 6.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7709 12.0059 6.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 17 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 18 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 19 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 20 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 10 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 15 2 0 0 0 0
- 8 9 2 0 0 0 0
- 8 11 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 14 1 0 0 0 0
- 10 16 2 0 0 0 0
- 11 12 2 0 0 0 0
- 11 21 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 22 1 0 0 0 0
- 13 14 2 0 0 0 0
- 13 23 1 0 0 0 0
- 14 24 1 0 0 0 0
-M END
-> <Boiling Point>
-653.1
-
-$$$$
-
- CDK 0203121541
-
- 37 37 0 0 0 0 0 0 0 0999 V2000
- 6.0673 6.0673 6.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4536 6.0673 6.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.1323 7.2938 6.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4242 8.5020 6.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0361 8.4733 6.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3419 7.2624 6.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8166 7.2444 6.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2987 6.0029 6.7583 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2817 8.4734 6.7743 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4621 7.2635 4.5299 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0231 7.0867 4.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0817 7.3124 2.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4878 5.6761 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0484 8.1016 4.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.4994 7.2286 6.0707 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5162 5.1137 6.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0106 5.1239 6.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
- 7.9499 9.4635 6.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4644 9.4145 6.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2007 5.9367 6.7068 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7140 5.0826 6.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5820 6.0129 7.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1818 8.5023 6.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6038 8.4753 7.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6516 9.4055 6.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8448 8.2285 4.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0768 6.4735 4.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0901 7.1983 2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4408 8.3207 2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7533 6.5933 1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5476 5.5114 3.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2023 4.9128 3.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2828 5.4939 5.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 7.9973 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9390 7.9745 5.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3876 9.1307 4.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8322 8.1174 6.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 16 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 17 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 15 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 19 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 8 20 1 0 0 0 0
- 8 21 1 0 0 0 0
- 8 22 1 0 0 0 0
- 9 23 1 0 0 0 0
- 9 24 1 0 0 0 0
- 9 25 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 26 1 0 0 0 0
- 10 27 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 12 28 1 0 0 0 0
- 12 29 1 0 0 0 0
- 12 30 1 0 0 0 0
- 13 31 1 0 0 0 0
- 13 32 1 0 0 0 0
- 13 33 1 0 0 0 0
- 14 34 1 0 0 0 0
- 14 35 1 0 0 0 0
- 14 36 1 0 0 0 0
- 15 37 1 0 0 0 0
-M END
-> <Boiling Point>
-563.6
-
-$$$$